N-(5-cyano-3-fluoro-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

C14H13FN4O — CID 61259196

IUPACN-(5-cyano-3-fluoro-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1cc(C#N)cc(F)c1C
InChIInChI=1S/C14H13FN4O/c1-7-11(15)4-10(6-16)5-12(7)17-14(20)13-8(2)18-19-9(13)3/h4-5H,1-3H3,(H,17,20)(H,18,19)
InChIKeyBKMJFNWXGCMXIQ-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.60
Rot. Bonds2

About N-(5-cyano-3-fluoro-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-(5-cyano-3-fluoro-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 61259196) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is N-(5-cyano-3-fluoro-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-3-fluoro-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID61259196
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC NameN-(5-cyano-3-fluoro-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1cc(C#N)cc(F)c1C
InChIInChI=1S/C14H13FN4O/c1-7-11(15)4-10(6-16)5-12(7)17-14(20)13-8(2)18-19-9(13)3/h4-5H,1-3H3,(H,17,20)(H,18,19)
InChIKeyBKMJFNWXGCMXIQ-UHFFFAOYSA-N
XLogP2.60
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113352500
4-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 60793561
5-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 60795117
4-cyano-2,6-difluoro-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 75393131
6-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 103889775
ethyl N-(5-cyano-3-fluoro-2-methylphenyl)carbamate
CID 61061573
3-amino-N-(5-cyano-3-fluoro-2-methylphenyl)butanamide
CID 60841231
N-(5-bromo-2-iodophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113366812
3-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)-4-methylbenzamide
CID 79489943
2-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)-5-methylbenzamide
CID 81008344
6-amino-N-(5-cyano-3-fluoro-2-methylphenyl)hexanamide
CID 43712227
2-[2-(5-cyano-3-fluoro-2-methylanilino)-2-oxoethoxy]acetic acid
CID 61327661

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-3-fluoro-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(5-cyano-3-fluoro-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 61259196) is N-(5-cyano-3-fluoro-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-cyano-3-fluoro-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(5-cyano-3-fluoro-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)Nc1cc(C#N)cc(F)c1C.
What is the InChIKey of N-(5-cyano-3-fluoro-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is BKMJFNWXGCMXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-7-11(15)4-10(6-16)5-12(7)17-14(20)13-8(2)18-19-9(13)3/h4-5H,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-(5-cyano-3-fluoro-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(5-cyano-3-fluoro-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 272.28 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-3-fluoro-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61259196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).