AX08412
98534-78-2 | 1-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
Manufacturer: A2B Chem
CAS Number: 98534-78-2
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Catalog Number
AX08412
Chemical Name
1-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
Cas Number
98534-78-2
Molecular Formula
C11H5Cl2F3N2O2
Molecular Weight
325.0708
Mdl Number
MFCD13352744
Smiles
Clc1ccc(c(c1)Cl)n1ncc(c1C(F)(F)F)C(=O)O
Complexity
383
Covalently-Bonded Unit Count
1
Heavy Atom Count
20
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
1
Rotatable Bond Count
2
Xlogp3
3.6
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Catalog Number: AX08412
Chemical Name: 1-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
Cas Number: 98534-78-2
Molecular Formula: C11H5Cl2F3N2O2
Molecular Weight: 325.0708
Mdl Number: MFCD13352744
Smiles: Clc1ccc(c(c1)Cl)n1ncc(c1C(F)(F)F)C(=O)O
Complexity: 383
Covalently-Bonded Unit Count: 1
Heavy Atom Count: 20
Hydrogen Bond Acceptor Count: 6
Hydrogen Bond Donor Count: 1
Rotatable Bond Count: 2
Xlogp3: 3.6
Catalog Number:
AX08412
Chemical Name:
1-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
Cas Number:
98534-78-2
Molecular Formula:
C11H5Cl2F3N2O2
Molecular Weight:
325.0708
Mdl Number:
MFCD13352744
Smiles:
Clc1ccc(c(c1)Cl)n1ncc(c1C(F)(F)F)C(=O)O
Complexity:
383
Covalently-Bonded Unit Count:
1
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Rotatable Bond Count:
2
Xlogp3:
3.6
Catalog Number: AX08413
Chemical Name: Pyrazolo[1,？5-？a]？pyrimidine, 3-？iodo-？6-？(4-？methoxyphenyl)？-
Cas Number: 709631-61-8
Molecular Formula: C11H19ClN2O2
Molecular Weight: 246.7338
Mdl Number: MFCD13196187
Smiles: O=C(N1CC2=C(C1)CNC2)OC(C)(C)C.Cl
Complexity: __
Covalently-Bonded Unit Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Hydrogen Bond Donor Count: __
Rotatable Bond Count: __
Xlogp3: __
Catalog Number:
AX08413
Chemical Name:
Pyrazolo[1,？5-？a]？pyrimidine, 3-？iodo-？6-？(4-？methoxyphenyl)？-
Cas Number:
709631-61-8
Molecular Formula:
C11H19ClN2O2
Molecular Weight:
246.7338
Mdl Number:
MFCD13196187
Smiles:
O=C(N1CC2=C(C1)CNC2)OC(C)(C)C.Cl
Complexity:
__
Covalently-Bonded Unit Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Hydrogen Bond Donor Count:
__
Rotatable Bond Count:
__
Xlogp3:
__
Catalog Number: AX08414
Chemical Name: 1-ethyl-3-isopropyl-1H-pyrazol-5-amine
Cas Number: 1249436-11-0
Molecular Formula: C8H15N3
Molecular Weight: 153.2248
Mdl Number: MFCD14620037
Smiles: CCn1nc(cc1N)C(C)C
Complexity: 125
Covalently-Bonded Unit Count: 1
Heavy Atom Count: 11
Hydrogen Bond Acceptor Count: 2
Hydrogen Bond Donor Count: 1
Rotatable Bond Count: 2
Xlogp3: 1.3
Catalog Number:
AX08414
Chemical Name:
1-ethyl-3-isopropyl-1H-pyrazol-5-amine
Cas Number:
1249436-11-0
Molecular Formula:
C8H15N3
Molecular Weight:
153.2248
Mdl Number:
MFCD14620037
Smiles:
CCn1nc(cc1N)C(C)C
Complexity:
125
Covalently-Bonded Unit Count:
1
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Rotatable Bond Count:
2
Xlogp3:
1.3
Catalog Number: AX08415
Chemical Name: 4-Bromo-1-ethyl-3-isopropyl-1H-pyrazol-5-amine
Cas Number: 1536252-20-6
Molecular Formula: C8H14BrN3
Molecular Weight: 232.1209
Mdl Number: MFCD23881418
Smiles: CCn1nc(c(c1N)Br)C(C)C
Complexity: 151
Covalently-Bonded Unit Count: 1
Heavy Atom Count: 12
Hydrogen Bond Acceptor Count: 2
Hydrogen Bond Donor Count: 1
Rotatable Bond Count: 2
Xlogp3: 2
Catalog Number:
AX08415
Chemical Name:
4-Bromo-1-ethyl-3-isopropyl-1H-pyrazol-5-amine
Cas Number:
1536252-20-6
Molecular Formula:
C8H14BrN3
Molecular Weight:
232.1209
Mdl Number:
MFCD23881418
Smiles:
CCn1nc(c(c1N)Br)C(C)C
Complexity:
151
Covalently-Bonded Unit Count:
1
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Rotatable Bond Count:
2
Xlogp3:
2