N-(2-chloro-4-cyanophenyl)-1,3-dimethylpyrazole-4-carboxamide

C13H11ClN4O — CID 103799786

IUPACN-(2-chloro-4-cyanophenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1ccc(C#N)cc1Cl
InChIInChI=1S/C13H11ClN4O/c1-8-10(7-18(2)17-8)13(19)16-12-4-3-9(6-15)5-11(12)14/h3-5,7H,1-2H3,(H,16,19)
InChIKeyFGJVIEKYZIVBJN-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.51
Rot. Bonds2

About N-(2-chloro-4-cyanophenyl)-1,3-dimethylpyrazole-4-carboxamide

N-(2-chloro-4-cyanophenyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 103799786) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is N-(2-chloro-4-cyanophenyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-cyanophenyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID103799786
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC NameN-(2-chloro-4-cyanophenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1ccc(C#N)cc1Cl
InChIInChI=1S/C13H11ClN4O/c1-8-10(7-18(2)17-8)13(19)16-12-4-3-9(6-15)5-11(12)14/h3-5,7H,1-2H3,(H,16,19)
InChIKeyFGJVIEKYZIVBJN-UHFFFAOYSA-N
XLogP2.51
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyano-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103820430
N-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285316
3-chloro-N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 107143579
N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 103799806
2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799731
N-(2-chloro-4-cyanophenyl)-2-fluoro-3-methylbenzamide
CID 103811028
5-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide
CID 103811217
N-(2-chloro-4-cyanophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 103799721
N-(2,6-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474782
N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 35523427
N-(2-chloro-4-cyanophenyl)-6-methylpyridine-3-carboxamide
CID 103799813
N-(2,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474851

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyanophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-chloro-4-cyanophenyl)-1,3-dimethylpyrazole-4-carboxamide (CID 103799786) is N-(2-chloro-4-cyanophenyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-cyanophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-cyanophenyl)-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)Nc1ccc(C#N)cc1Cl.
What is the InChIKey of N-(2-chloro-4-cyanophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is FGJVIEKYZIVBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-8-10(7-18(2)17-8)13(19)16-12-4-3-9(6-15)5-11(12)14/h3-5,7H,1-2H3,(H,16,19).
What are the key properties of N-(2-chloro-4-cyanophenyl)-1,3-dimethylpyrazole-4-carboxamide?
N-(2-chloro-4-cyanophenyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 274.71 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-cyanophenyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 103799786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).