N-(4-cyanophenyl)-4-methyl-1H-pyrazole-5-carboxamide

C12H10N4O — CID 110864874

IUPACN-(4-cyanophenyl)-4-methyl-1H-pyrazole-5-carboxamide
SMILESCc1cn[nH]c1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C12H10N4O/c1-8-7-14-16-11(8)12(17)15-10-4-2-9(6-13)3-5-10/h2-5,7H,1H3,(H,14,16)(H,15,17)
InChIKeyOSMMDAWUSCDERM-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.84
Rot. Bonds2

About N-(4-cyanophenyl)-4-methyl-1H-pyrazole-5-carboxamide

N-(4-cyanophenyl)-4-methyl-1H-pyrazole-5-carboxamide (PubChem CID 110864874) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-methyl-1H-pyrazole-5-carboxamide
PubChem CID110864874
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC NameN-(4-cyanophenyl)-4-methyl-1H-pyrazole-5-carboxamide
SMILESCc1cn[nH]c1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C12H10N4O/c1-8-7-14-16-11(8)12(17)15-10-4-2-9(6-13)3-5-10/h2-5,7H,1H3,(H,14,16)(H,15,17)
InChIKeyOSMMDAWUSCDERM-UHFFFAOYSA-N
XLogP1.84
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4-cyanophenyl)-2,2-dimethylpropanamide
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4-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-5-carboxamide
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5-amino-N-(4-cyanophenyl)-2-methylbenzamide
CID 61291527
N-(4-cyanophenyl)-3-fluoro-4-methylbenzamide
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N-(2-ethylphenyl)-4-methyl-1H-pyrazole-5-carboxamide
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N-(4-cyanophenyl)-2-methyl-5-sulfanylbenzamide
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CID 3409554

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-4-methyl-1H-pyrazole-5-carboxamide (CID 110864874) is N-(4-cyanophenyl)-4-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-4-methyl-1H-pyrazole-5-carboxamide is Cc1cn[nH]c1C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-4-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is OSMMDAWUSCDERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-8-7-14-16-11(8)12(17)15-10-4-2-9(6-13)3-5-10/h2-5,7H,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(4-cyanophenyl)-4-methyl-1H-pyrazole-5-carboxamide?
N-(4-cyanophenyl)-4-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 226.24 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 110864874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).