AB68721
58046-50-7 | 5-Amino-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB68721
ChemicalName
5-Amino-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid
CasNumber
58046-50-7
MolecularFormula
C6H9N3O3
MolecularWeight
171.154
MdlNumber
MFCD06496475
Smiles
OCCn1ncc(c1N)C(=O)O
NscNumber
266217
Complexity
175
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
3
Xlogp3
-0.8
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CatalogNumber: AB68721
ChemicalName: 5-Amino-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid
CasNumber: 58046-50-7
MolecularFormula: C6H9N3O3
MolecularWeight: 171.154
MdlNumber: MFCD06496475
Smiles: OCCn1ncc(c1N)C(=O)O
NscNumber: 266217
Complexity: 175
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 3
Xlogp3: -0.8
CatalogNumber:
AB68721
ChemicalName:
5-Amino-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid
CasNumber:
58046-50-7
MolecularFormula:
C6H9N3O3
MolecularWeight:
171.154
MdlNumber:
MFCD06496475
Smiles:
OCCn1ncc(c1N)C(=O)O
NscNumber:
266217
Complexity:
175
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
3
Xlogp3:
-0.8
CatalogNumber: AB68722
ChemicalName: 5-Amino-1-(2-hydroxyethyl)pyrazole
CasNumber: 73616-27-0
MolecularFormula: C5H9N3O
MolecularWeight: 127.1445
MdlNumber: MFCD08063809
Smiles: OCCn1nccc1N
NscNumber: 267219
Complexity: 88.3
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -0.9
CatalogNumber:
AB68722
ChemicalName:
5-Amino-1-(2-hydroxyethyl)pyrazole
CasNumber:
73616-27-0
MolecularFormula:
C5H9N3O
MolecularWeight:
127.1445
MdlNumber:
MFCD08063809
Smiles:
OCCn1nccc1N
NscNumber:
267219
Complexity:
88.3
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-0.9
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Smiles: N#Cc1cnn(c1N)c1cccc(c1)Cl
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N#Cc1cnn(c1N)c1cccc(c1)Cl
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Smiles: N#Cc1cnn(c1N)c1ccc(cc1)Cl
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
N#Cc1cnn(c1N)c1ccc(cc1)Cl
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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