AA80037
158001-28-6 | 5-Amino-1-tert-butyl-1h-pyrazole-4-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA80037
ChemicalName
5-Amino-1-tert-butyl-1h-pyrazole-4-carbonitrile
CasNumber
158001-28-6
MolecularFormula
C8H12N4
MolecularWeight
164.2077
MdlNumber
MFCD00128289
Smiles
N#Cc1cnn(c1N)C(C)(C)C
Complexity
209
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1
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CatalogNumber: AA80037
ChemicalName: 5-Amino-1-tert-butyl-1h-pyrazole-4-carbonitrile
CasNumber: 158001-28-6
MolecularFormula: C8H12N4
MolecularWeight: 164.2077
MdlNumber: MFCD00128289
Smiles: N#Cc1cnn(c1N)C(C)(C)C
Complexity: 209
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1
CatalogNumber:
AA80037
ChemicalName:
5-Amino-1-tert-butyl-1h-pyrazole-4-carbonitrile
CasNumber:
158001-28-6
MolecularFormula:
C8H12N4
MolecularWeight:
164.2077
MdlNumber:
MFCD00128289
Smiles:
N#Cc1cnn(c1N)C(C)(C)C
Complexity:
209
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1
CatalogNumber: AA80038
ChemicalName: 3-tert-Butyl-1H-pyrazole
CasNumber: 15802-80-9
MolecularFormula: C7H12N2
MolecularWeight: 124.1836
MdlNumber: MFCD00127337
Smiles: CC(c1cc[nH]n1)(C)C
Complexity: 93.6
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.9
CatalogNumber:
AA80038
ChemicalName:
3-tert-Butyl-1H-pyrazole
CasNumber:
15802-80-9
MolecularFormula:
C7H12N2
MolecularWeight:
124.1836
MdlNumber:
MFCD00127337
Smiles:
CC(c1cc[nH]n1)(C)C
Complexity:
93.6
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCc1n[nH]cc1Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCc1n[nH]cc1Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA80040
ChemicalName: 3-Methyl-4-iodopyrazole
CasNumber: 15802-75-2
MolecularFormula: C4H5IN2
MolecularWeight: 208.0004
MdlNumber: MFCD09908176
Smiles: Ic1c[nH]nc1C
Complexity: 66.7
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.3
CatalogNumber:
AA80040
ChemicalName:
3-Methyl-4-iodopyrazole
CasNumber:
15802-75-2
MolecularFormula:
C4H5IN2
MolecularWeight:
208.0004
MdlNumber:
MFCD09908176
Smiles:
Ic1c[nH]nc1C
Complexity:
66.7
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.3