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

C22H16F2N4O — CID 3927672

IUPAC3-(2-fluorophenyl)-1-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(-c2ccccc2F)nn1-c1ccc(F)cc1
InChIInChI=1S/C22H16F2N4O/c23-15-8-10-17(11-9-15)28-21(22(29)26-14-16-5-3-4-12-25-16)13-20(27-28)18-6-1-2-7-19(18)24/h1-13H,14H2,(H,26,29)
InChIKeySSRJGGPCWYSXDJ-UHFFFAOYSA-N
MW390.39 g/mol
LogP4.14
Rot. Bonds5

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

3-(2-fluorophenyl)-1-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide (PubChem CID 3927672) has the molecular formula C22H16F2N4O and a molecular weight of 390.39 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
PubChem CID3927672
Molecular FormulaC22H16F2N4O
Molecular Weight390.39 g/mol
Exact Mass390.13
IUPAC Name3-(2-fluorophenyl)-1-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(-c2ccccc2F)nn1-c1ccc(F)cc1
InChIInChI=1S/C22H16F2N4O/c23-15-8-10-17(11-9-15)28-21(22(29)26-14-16-5-3-4-12-25-16)13-20(27-28)18-6-1-2-7-19(18)24/h1-13H,14H2,(H,26,29)
InChIKeySSRJGGPCWYSXDJ-UHFFFAOYSA-N
XLogP4.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluorophenyl)-1-phenyl-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 42754740
N-cyclopropyl-3-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide
CID 812037
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 42755526
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(3-methylbutyl)pyrazole-5-carboxamide
CID 4587400
3-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 4637468
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
N-butyl-3-(2-fluorophenyl)-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3372471
2,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 9414595
5-ethyl-1-(4-fluorophenyl)-3-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42820288
1-(3-chlorophenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 3389223
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-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-1-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide (CID 3927672) is 3-(2-fluorophenyl)-1-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-1-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-1-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide is O=C(NCc1ccccn1)c1cc(-c2ccccc2F)nn1-c1ccc(F)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-1-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is SSRJGGPCWYSXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O/c23-15-8-10-17(11-9-15)28-21(22(29)26-14-16-5-3-4-12-25-16)13-20(27-28)18-6-1-2-7-19(18)24/h1-13H,14H2,(H,26,29).
What are the key properties of 3-(2-fluorophenyl)-1-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide?
3-(2-fluorophenyl)-1-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 390.39 g/mol, XLogP of 4.14, 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-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 3927672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).