3-amino-N-(5-cyano-2-methylphenyl)-1H-pyrazole-5-carboxamide

C12H11N5O — CID 64525453

IUPAC3-amino-N-(5-cyano-2-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C12H11N5O/c1-7-2-3-8(6-13)4-9(7)15-12(18)10-5-11(14)17-16-10/h2-5H,1H3,(H,15,18)(H3,14,16,17)
InChIKeyOWWXSVVKPUGWQO-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.42
Rot. Bonds2

About 3-amino-N-(5-cyano-2-methylphenyl)-1H-pyrazole-5-carboxamide

3-amino-N-(5-cyano-2-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 64525453) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-amino-N-(5-cyano-2-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-cyano-2-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID64525453
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name3-amino-N-(5-cyano-2-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C12H11N5O/c1-7-2-3-8(6-13)4-9(7)15-12(18)10-5-11(14)17-16-10/h2-5H,1H3,(H,15,18)(H3,14,16,17)
InChIKeyOWWXSVVKPUGWQO-UHFFFAOYSA-N
XLogP1.42
TPSA107.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(5-cyano-2-methylphenyl)-1H-pyrazole-5-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

3-amino-N-(2-bromo-4-cyanophenyl)-1H-pyrazole-5-carboxamide
CID 107796825
2-amino-5-chloro-N-(5-cyano-2-methylphenyl)pyridine-4-carboxamide
CID 114922463
5-cyano-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 55229412
4-amino-N-(5-cyano-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66124198
N-(5-cyano-2-methylphenyl)-1H-indazole-6-carboxamide
CID 62907539
methyl N-(5-cyano-2-methylphenyl)carbamate
CID 62065723
N-(5-cyano-2-methylphenyl)-3-hydroxypyridine-2-carboxamide
CID 62103587
N-(5-cyano-2-methylphenyl)-2-hydrazinyl-5-methylbenzamide
CID 62510979
N-(5-cyano-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62059398
N-(5-cyano-2-methylphenyl)-5-methylfuran-2-carboxamide
CID 47475916
N-(5-cyano-2-methylphenyl)-2,6-difluoro-3-methylbenzamide
CID 82797664
3-amino-N-(2-fluoro-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 64524613

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-cyano-2-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(5-cyano-2-methylphenyl)-1H-pyrazole-5-carboxamide (CID 64525453) is 3-amino-N-(5-cyano-2-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(5-cyano-2-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(5-cyano-2-methylphenyl)-1H-pyrazole-5-carboxamide is Cc1ccc(C#N)cc1NC(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-(5-cyano-2-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is OWWXSVVKPUGWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-7-2-3-8(6-13)4-9(7)15-12(18)10-5-11(14)17-16-10/h2-5H,1H3,(H,15,18)(H3,14,16,17).
What are the key properties of 3-amino-N-(5-cyano-2-methylphenyl)-1H-pyrazole-5-carboxamide?
3-amino-N-(5-cyano-2-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-cyano-2-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64525453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).