4-amino-1-[(4-cyano-2-methylphenyl)methyl]pyrazole-3-carboxamide

C13H13N5O — CID 107345349

IUPAC4-amino-1-[(4-cyano-2-methylphenyl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C#N)ccc1Cn1cc(N)c(C(N)=O)n1
InChIInChI=1S/C13H13N5O/c1-8-4-9(5-14)2-3-10(8)6-18-7-11(15)12(17-18)13(16)19/h2-4,7H,6,15H2,1H3,(H2,16,19)
InChIKeySBSLDMJFEYKUKQ-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.79
Rot. Bonds3

About 4-amino-1-[(4-cyano-2-methylphenyl)methyl]pyrazole-3-carboxamide

4-amino-1-[(4-cyano-2-methylphenyl)methyl]pyrazole-3-carboxamide (PubChem CID 107345349) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-amino-1-[(4-cyano-2-methylphenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-[(4-cyano-2-methylphenyl)methyl]pyrazole-3-carboxamide
PubChem CID107345349
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name4-amino-1-[(4-cyano-2-methylphenyl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C#N)ccc1Cn1cc(N)c(C(N)=O)n1
InChIInChI=1S/C13H13N5O/c1-8-4-9(5-14)2-3-10(8)6-18-7-11(15)12(17-18)13(16)19/h2-4,7H,6,15H2,1H3,(H2,16,19)
InChIKeySBSLDMJFEYKUKQ-UHFFFAOYSA-N
XLogP0.79
TPSA110.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-1-[(4-cyano-2-methylphenyl)methyl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-[(2-cyanophenyl)methyl]pyrazole-3-carboxamide
CID 107345205
methyl 4-amino-1-[(2-chloro-4-cyanophenyl)methyl]pyrazole-3-carboxylate
CID 107344760
4-amino-1-(naphthalen-1-ylmethyl)pyrazole-3-carboxamide
CID 107345141
4-amino-1-(2-bromo-4-cyanophenyl)pyrazole-3-carboxamide
CID 107346677
4-[(3-amino-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile
CID 114480892
4-amino-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 107345120
3-methyl-4-[(3-nitropyrazol-1-yl)methyl]benzonitrile
CID 114481367
4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide
CID 107345092
4-[(4-cyano-2-methylphenyl)methylamino]benzamide
CID 114479640
4-[[4-(hydroxymethyl)imidazol-1-yl]methyl]-3-methylbenzonitrile
CID 106717623
1-[(4-cyano-2-methylphenyl)methyl]-5-methylpyrazole-4-carboxylic acid
CID 114484314
4-[(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile
CID 114480903

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(4-cyano-2-methylphenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-[(4-cyano-2-methylphenyl)methyl]pyrazole-3-carboxamide (CID 107345349) is 4-amino-1-[(4-cyano-2-methylphenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-[(4-cyano-2-methylphenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-[(4-cyano-2-methylphenyl)methyl]pyrazole-3-carboxamide is Cc1cc(C#N)ccc1Cn1cc(N)c(C(N)=O)n1.
What is the InChIKey of 4-amino-1-[(4-cyano-2-methylphenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is SBSLDMJFEYKUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-8-4-9(5-14)2-3-10(8)6-18-7-11(15)12(17-18)13(16)19/h2-4,7H,6,15H2,1H3,(H2,16,19).
What are the key properties of 4-amino-1-[(4-cyano-2-methylphenyl)methyl]pyrazole-3-carboxamide?
4-amino-1-[(4-cyano-2-methylphenyl)methyl]pyrazole-3-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(4-cyano-2-methylphenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 107345349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).