AB18677
208519-08-8 | 3-(3,4-Dimethoxyphenyl)-1h-pyrazol-5-amine
Manufacturer: A2B Chem
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CatalogNumber
AB18677
ChemicalName
3-(3,4-Dimethoxyphenyl)-1h-pyrazol-5-amine
CasNumber
208519-08-8
MolecularFormula
C11H13N3O2
MolecularWeight
219.2398
MdlNumber
MFCD02664228
Smiles
COc1cc(ccc1OC)c1[nH]nc(c1)N
Complexity
227
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.5
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CatalogNumber: AB18677
ChemicalName: 3-(3,4-Dimethoxyphenyl)-1h-pyrazol-5-amine
CasNumber: 208519-08-8
MolecularFormula: C11H13N3O2
MolecularWeight: 219.2398
MdlNumber: MFCD02664228
Smiles: COc1cc(ccc1OC)c1[nH]nc(c1)N
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AB18677
ChemicalName:
3-(3,4-Dimethoxyphenyl)-1h-pyrazol-5-amine
CasNumber:
208519-08-8
MolecularFormula:
C11H13N3O2
MolecularWeight:
219.2398
MdlNumber:
MFCD02664228
Smiles:
COc1cc(ccc1OC)c1[nH]nc(c1)N
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: AB18678
ChemicalName: Ethyl 2-(trifluoromethyl)nicotinate
CasNumber: 208517-35-5
MolecularFormula: C9H8F3NO2
MolecularWeight: 219.1605
MdlNumber: MFCD08741365
Smiles: CCOC(=O)c1cccnc1C(F)(F)F
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AB18678
ChemicalName:
Ethyl 2-(trifluoromethyl)nicotinate
CasNumber:
208517-35-5
MolecularFormula:
C9H8F3NO2
MolecularWeight:
219.1605
MdlNumber:
MFCD08741365
Smiles:
CCOC(=O)c1cccnc1C(F)(F)F
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2
CatalogNumber: AB18679
ChemicalName: t-Butyl 4-boronobenzenesulfonamide
CasNumber: 208516-15-8
MolecularFormula: C10H16BNO4S
MolecularWeight: 257.1143
MdlNumber: MFCD06659841
Smiles: OB(c1ccc(cc1)S(=O)(=O)NC(C)(C)C)O
Complexity: 336
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AB18679
ChemicalName:
t-Butyl 4-boronobenzenesulfonamide
CasNumber:
208516-15-8
MolecularFormula:
C10H16BNO4S
MolecularWeight:
257.1143
MdlNumber:
MFCD06659841
Smiles:
OB(c1ccc(cc1)S(=O)(=O)NC(C)(C)C)O
Complexity:
336
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
4
Xlogp3:
__
CatalogNumber: AB18680
ChemicalName: 3-(4-Carboxyphenyl)pyrazole
CasNumber: 208511-67-5
MolecularFormula: C10H8N2O2
MolecularWeight: 188.1827
MdlNumber: MFCD01569442
Smiles: OC(=O)c1ccc(cc1)c1n[nH]cc1
Complexity: 212
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AB18680
ChemicalName:
3-(4-Carboxyphenyl)pyrazole
CasNumber:
208511-67-5
MolecularFormula:
C10H8N2O2
MolecularWeight:
188.1827
MdlNumber:
MFCD01569442
Smiles:
OC(=O)c1ccc(cc1)c1n[nH]cc1
Complexity:
212
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.4