N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-carboxamide

C12H10N4O2 — CID 107468068

IUPACN-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1cccc(C#N)c1NC(=O)c1cn[nH]c1
InChIInChI=1S/C12H10N4O2/c1-18-10-4-2-3-8(5-13)11(10)16-12(17)9-6-14-15-7-9/h2-4,6-7H,1H3,(H,14,15)(H,16,17)
InChIKeyXRJYAFFCZBHPTO-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.54
Rot. Bonds3

About N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-carboxamide

N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 107468068) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-carboxamide
PubChem CID107468068
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC NameN-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1cccc(C#N)c1NC(=O)c1cn[nH]c1
InChIInChI=1S/C12H10N4O2/c1-18-10-4-2-3-8(5-13)11(10)16-12(17)9-6-14-15-7-9/h2-4,6-7H,1H3,(H,14,15)(H,16,17)
InChIKeyXRJYAFFCZBHPTO-UHFFFAOYSA-N
XLogP1.54
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-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-N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 107466425
5-amino-N-(2-cyano-6-methoxyphenyl)pyridine-2-carboxamide
CID 107466429
3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107468118
6-amino-N-(2-cyano-6-methoxyphenyl)pyridazine-3-carboxamide
CID 107469830
4-(chloromethyl)-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107467181
N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 107468982
N-(2-cyano-6-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 107467316
N-(2-cyano-6-methoxyphenyl)-2-fluorobenzamide
CID 107467342
3-chloro-N-(2-cyano-6-methoxyphenyl)-5-methylbenzamide
CID 107468127
N-(2-cyano-6-methoxyphenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 107468124
2-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)pyridine-4-carboxamide
CID 107467795
N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 107468131

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-carboxamide (CID 107468068) is N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-carboxamide is COc1cccc(C#N)c1NC(=O)c1cn[nH]c1.
What is the InChIKey of N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is XRJYAFFCZBHPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-18-10-4-2-3-8(5-13)11(10)16-12(17)9-6-14-15-7-9/h2-4,6-7H,1H3,(H,14,15)(H,16,17).
What are the key properties of N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-carboxamide?
N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 242.24 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 107468068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).