1-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

C18H17FN4O — CID 42818134

IUPAC1-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1nn(-c2cccc(F)c2)c(C)c1C(=O)NCc1ccccn1
InChIInChI=1S/C18H17FN4O/c1-12-17(18(24)21-11-15-7-3-4-9-20-15)13(2)23(22-12)16-8-5-6-14(19)10-16/h3-10H,11H2,1-2H3,(H,21,24)
InChIKeyLNGYMZKONUFXDW-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.95
Rot. Bonds4

About 1-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

1-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 42818134) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID42818134
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name1-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1nn(-c2cccc(F)c2)c(C)c1C(=O)NCc1ccccn1
InChIInChI=1S/C18H17FN4O/c1-12-17(18(24)21-11-15-7-3-4-9-20-15)13(2)23(22-12)16-8-5-6-14(19)10-16/h3-10H,11H2,1-2H3,(H,21,24)
InChIKeyLNGYMZKONUFXDW-UHFFFAOYSA-N
XLogP2.95
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-(3-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 42818135
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide
CID 24538405
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 9206139
2-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87044480
5-(3-fluorophenyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 46104880
1-(3-fluoro-4-methylphenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 46858085
5-methyl-1-(3-nitrophenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 37266147
1-(4-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 40636787
1-(4-fluorophenyl)-3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 25492307
2,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 9414595
N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148
1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 45215486

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide (CID 42818134) is 1-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide is Cc1nn(-c2cccc(F)c2)c(C)c1C(=O)NCc1ccccn1.
What is the InChIKey of 1-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is LNGYMZKONUFXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-12-17(18(24)21-11-15-7-3-4-9-20-15)13(2)23(22-12)16-8-5-6-14(19)10-16/h3-10H,11H2,1-2H3,(H,21,24).
What are the key properties of 1-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
1-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42818134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).