N-(3-cyano-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide

C14H13FN4O — CID 62316843

IUPACN-(3-cyano-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C14H13FN4O/c1-8-13(9(2)19(3)18-8)14(20)17-11-4-5-12(15)10(6-11)7-16/h4-6H,1-3H3,(H,17,20)
InChIKeyTXSIULSSPKKNLU-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.30
Rot. Bonds2

About N-(3-cyano-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide

N-(3-cyano-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 62316843) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID62316843
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC NameN-(3-cyano-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C14H13FN4O/c1-8-13(9(2)19(3)18-8)14(20)17-11-4-5-12(15)10(6-11)7-16/h4-6H,1-3H3,(H,17,20)
InChIKeyTXSIULSSPKKNLU-UHFFFAOYSA-N
XLogP2.30
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 103791455
N-(3-cyano-4-fluorophenyl)-2,4,6-trimethylbenzamide
CID 62315615
4-acetyl-N-(3-cyano-4-fluorophenyl)-3-fluoro-1,5-dimethylpyrrole-2-carboxamide
CID 134268466
N-(3-cyano-4-fluorophenyl)-1,2,4-trimethyl-5-oxaldehydoylpyrrole-3-carboxamide
CID 139551627
N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 36763541
1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 19281566
N-(2-cyano-4-nitrophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281743
1,3,5-trimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-4-carboxamide
CID 19281483
5-acetyl-2,4-dibromo-N-(3-cyano-4-fluorophenyl)-1-methylpyrrole-3-carboxamide
CID 139551993
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 24673153
N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 17439489
2-bromo-N-(3-cyano-4-fluorophenyl)-5-methylbenzamide
CID 81004502

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 62316843) is N-(3-cyano-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)Nc1ccc(F)c(C#N)c1.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is TXSIULSSPKKNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-8-13(9(2)19(3)18-8)14(20)17-11-4-5-12(15)10(6-11)7-16/h4-6H,1-3H3,(H,17,20).
What are the key properties of N-(3-cyano-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(3-cyano-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 272.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 62316843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).