3-(2-fluorophenyl)-1-phenyl-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide

C22H17FN4O — CID 42754740

IUPAC3-(2-fluorophenyl)-1-phenyl-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(-c2ccccc2F)nn1-c1ccccc1
InChIInChI=1S/C22H17FN4O/c23-19-12-5-4-11-18(19)20-14-21(27(26-20)17-9-2-1-3-10-17)22(28)25-15-16-8-6-7-13-24-16/h1-14H,15H2,(H,25,28)
InChIKeyHUTCNJUKRFBGJR-UHFFFAOYSA-N
MW372.40 g/mol
LogP4.00
Rot. Bonds5

About 3-(2-fluorophenyl)-1-phenyl-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide

3-(2-fluorophenyl)-1-phenyl-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide (PubChem CID 42754740) has the molecular formula C22H17FN4O and a molecular weight of 372.40 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-phenyl-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-phenyl-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
PubChem CID42754740
Molecular FormulaC22H17FN4O
Molecular Weight372.40 g/mol
Exact Mass372.14
IUPAC Name3-(2-fluorophenyl)-1-phenyl-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(-c2ccccc2F)nn1-c1ccccc1
InChIInChI=1S/C22H17FN4O/c23-19-12-5-4-11-18(19)20-14-21(27(26-20)17-9-2-1-3-10-17)22(28)25-15-16-8-6-7-13-24-16/h1-14H,15H2,(H,25,28)
InChIKeyHUTCNJUKRFBGJR-UHFFFAOYSA-N
XLogP4.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluorophenyl)-1-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 3927672
3-(2-fluorophenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 4218340
3-(3,4-dimethylphenyl)-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 3934182
1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 5013344
1-(3-chlorophenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 3389223
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 42755526
N-butyl-3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3928808
3-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 4637468
1-(4-methoxyphenyl)-3-phenyl-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 42754625
N-butyl-3-(2-fluorophenyl)-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3372471
N-cyclopropyl-3-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide
CID 812037
3-(2-fluorophenyl)-N-(3-methylbutyl)-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 42759122

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-phenyl-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-1-phenyl-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide (CID 42754740) is 3-(2-fluorophenyl)-1-phenyl-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-1-phenyl-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-1-phenyl-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide is O=C(NCc1ccccn1)c1cc(-c2ccccc2F)nn1-c1ccccc1.
What is the InChIKey of 3-(2-fluorophenyl)-1-phenyl-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is HUTCNJUKRFBGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O/c23-19-12-5-4-11-18(19)20-14-21(27(26-20)17-9-2-1-3-10-17)22(28)25-15-16-8-6-7-13-24-16/h1-14H,15H2,(H,25,28).
What are the key properties of 3-(2-fluorophenyl)-1-phenyl-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide?
3-(2-fluorophenyl)-1-phenyl-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-phenyl-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 42754740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).