N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide

C13H14FN3O — CID 35523427

IUPACN-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cn(C)nc1C
InChIInChI=1S/C13H14FN3O/c1-8-6-10(14)4-5-12(8)15-13(18)11-7-17(3)16-9(11)2/h4-7H,1-3H3,(H,15,18)
InChIKeyFWVQRNQPFSZQEN-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.43
Rot. Bonds2

About N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide

N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 35523427) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID35523427
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC NameN-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cn(C)nc1C
InChIInChI=1S/C13H14FN3O/c1-8-6-10(14)4-5-12(8)15-13(18)11-7-17(3)16-9(11)2/h4-7H,1-3H3,(H,15,18)
InChIKeyFWVQRNQPFSZQEN-UHFFFAOYSA-N
XLogP2.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285306
N-(2,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474851
N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285304
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
N-(4-cyano-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103820430
N-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285316
N-(4-fluoro-2-methylphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16609443
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474826
N-(6-fluoro-3-pyridinyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103789989
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797
2-bromo-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 9192994
N-(3-tert-butyl-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 158126959

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide (CID 35523427) is N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide is Cc1cc(F)ccc1NC(=O)c1cn(C)nc1C.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is FWVQRNQPFSZQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-8-6-10(14)4-5-12(8)15-13(18)11-7-17(3)16-9(11)2/h4-7H,1-3H3,(H,15,18).
What are the key properties of N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide?
N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 247.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 35523427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).