5-amino-1-[(3-methylphenyl)methyl]pyrazole-4-carboxamide

C12H14N4O — CID 83240421

IUPAC5-amino-1-[(3-methylphenyl)methyl]pyrazole-4-carboxamide
SMILESCc1cccc(Cn2ncc(C(N)=O)c2N)c1
InChIInChI=1S/C12H14N4O/c1-8-3-2-4-9(5-8)7-16-11(13)10(6-15-16)12(14)17/h2-6H,7,13H2,1H3,(H2,14,17)
InChIKeyPPIZOXKSEBKFLW-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.92
Rot. Bonds3

About 5-amino-1-[(3-methylphenyl)methyl]pyrazole-4-carboxamide

5-amino-1-[(3-methylphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 83240421) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-amino-1-[(3-methylphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[(3-methylphenyl)methyl]pyrazole-4-carboxamide
PubChem CID83240421
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name5-amino-1-[(3-methylphenyl)methyl]pyrazole-4-carboxamide
SMILESCc1cccc(Cn2ncc(C(N)=O)c2N)c1
InChIInChI=1S/C12H14N4O/c1-8-3-2-4-9(5-8)7-16-11(13)10(6-15-16)12(14)17/h2-6H,7,13H2,1H3,(H2,14,17)
InChIKeyPPIZOXKSEBKFLW-UHFFFAOYSA-N
XLogP0.92
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-amino-1-benzylpyrazole-4-carboxylate
CID 785810
ethyl 5-cyclopropyl-1-[(3-methylphenyl)methyl]pyrazole-4-carboxylate
CID 63274986
[5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol
CID 115068523
5-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 90391420
1-[(3-methylphenyl)methyl]-4-phenoxypyrazole-5-carboxylic acid
CID 117232583
1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 7017120
5-chloro-1-[(3-methylphenyl)methyl]triazole-4-carboxylic acid
CID 102544050
ethyl 5-amino-1-[(4-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 778101
2-[5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanamine
CID 115068545
1-ethyl-5-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19280821
5-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 70503319
methyl 5-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]triazole-4-carboxylate
CID 102646233

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(3-methylphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-[(3-methylphenyl)methyl]pyrazole-4-carboxamide (CID 83240421) is 5-amino-1-[(3-methylphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[(3-methylphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[(3-methylphenyl)methyl]pyrazole-4-carboxamide is Cc1cccc(Cn2ncc(C(N)=O)c2N)c1.
What is the InChIKey of 5-amino-1-[(3-methylphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is PPIZOXKSEBKFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-3-2-4-9(5-8)7-16-11(13)10(6-15-16)12(14)17/h2-6H,7,13H2,1H3,(H2,14,17).
What are the key properties of 5-amino-1-[(3-methylphenyl)methyl]pyrazole-4-carboxamide?
5-amino-1-[(3-methylphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(3-methylphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 83240421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).