1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-4-ylpyrazole-4-carboxamide

C17H15FN4O — CID 25336520

IUPAC1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-4-ylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccncc1
InChIInChI=1S/C17H15FN4O/c1-11-16(17(23)20-14-7-9-19-10-8-14)12(2)22(21-11)15-5-3-13(18)4-6-15/h3-10H,1-2H3,(H,19,20,23)
InChIKeyPYJGIQWLICPZJS-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.28
Rot. Bonds3

About 1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-4-ylpyrazole-4-carboxamide

1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-4-ylpyrazole-4-carboxamide (PubChem CID 25336520) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-4-ylpyrazole-4-carboxamide
PubChem CID25336520
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-4-ylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccncc1
InChIInChI=1S/C17H15FN4O/c1-11-16(17(23)20-14-7-9-19-10-8-14)12(2)22(21-11)15-5-3-13(18)4-6-15/h3-10H,1-2H3,(H,19,20,23)
InChIKeyPYJGIQWLICPZJS-UHFFFAOYSA-N
XLogP3.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-(4-fluorophenyl)-3-methyl-N-pyridin-4-ylpyrazole-4-carboxamide
CID 27699924
N-[4-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 41266192
N-[4-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 46671077
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 60593095
1-(4-fluorophenyl)-3,5-dimethyl-N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide
CID 166294128
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 26245553
N-(4-acetamidophenyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 8701464
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 47927121
1-(4-fluorophenyl)-3,5-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119502383
N-(3,4-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 26245099
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 34333616
1-(4-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 40636787

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-4-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-4-ylpyrazole-4-carboxamide (CID 25336520) is 1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-4-ylpyrazole-4-carboxamide is Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccncc1.
What is the InChIKey of 1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-4-ylpyrazole-4-carboxamide?
The InChIKey is PYJGIQWLICPZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-11-16(17(23)20-14-7-9-19-10-8-14)12(2)22(21-11)15-5-3-13(18)4-6-15/h3-10H,1-2H3,(H,19,20,23).
What are the key properties of 1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-4-ylpyrazole-4-carboxamide?
1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-4-ylpyrazole-4-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 25336520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).