N-(4-chloro-3-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

C13H11ClN4O — CID 61259853

IUPACN-(4-chloro-3-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1ccc(Cl)c(C#N)c1
InChIInChI=1S/C13H11ClN4O/c1-7-12(8(2)18-17-7)13(19)16-10-3-4-11(14)9(5-10)6-15/h3-5H,1-2H3,(H,16,19)(H,17,18)
InChIKeyGUJWWGHYAHRSFF-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.80
Rot. Bonds2

About N-(4-chloro-3-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-(4-chloro-3-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 61259853) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is N-(4-chloro-3-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID61259853
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC NameN-(4-chloro-3-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1ccc(Cl)c(C#N)c1
InChIInChI=1S/C13H11ClN4O/c1-7-12(8(2)18-17-7)13(19)16-10-3-4-11(14)9(5-10)6-15/h3-5H,1-2H3,(H,16,19)(H,17,18)
InChIKeyGUJWWGHYAHRSFF-UHFFFAOYSA-N
XLogP2.80
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582492
N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582476
N-(3-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582601
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582479
N-(4-acetamido-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61274560
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]benzoic acid
CID 43583203
N-(5-carbamoyl-2-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61274098
4-bromo-3-chloro-N-(4-chloro-3-cyanophenyl)benzamide
CID 81308168
N-[3-(cyanomethoxy)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61276278
N-(6-chloro-5-methyl-3-pyridinyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113366853
N-(4-chloro-3-cyanophenyl)-2-fluoro-5-methylbenzamide
CID 62510457
3-amino-N-(4-chloro-3-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 61468161

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-chloro-3-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 61259853) is N-(4-chloro-3-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-chloro-3-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-chloro-3-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)Nc1ccc(Cl)c(C#N)c1.
What is the InChIKey of N-(4-chloro-3-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is GUJWWGHYAHRSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-7-12(8(2)18-17-7)13(19)16-10-3-4-11(14)9(5-10)6-15/h3-5H,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-(4-chloro-3-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(4-chloro-3-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 274.71 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61259853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).