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

C23H19FN4O — CID 53067889

IUPACN-(4-ethylphenyl)-1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(-c3ccncc3)n(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H19FN4O/c1-2-16-3-7-19(8-4-16)26-23(29)21-15-22(17-11-13-25-14-12-17)28(27-21)20-9-5-18(24)6-10-20/h3-15H,2H2,1H3,(H,26,29)
InChIKeyWTFXHMPFGBSYHS-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.89
Rot. Bonds5

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

N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carboxamide (PubChem CID 53067889) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carboxamide
PubChem CID53067889
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC NameN-(4-ethylphenyl)-1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(-c3ccncc3)n(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H19FN4O/c1-2-16-3-7-19(8-4-16)26-23(29)21-15-22(17-11-13-25-14-12-17)28(27-21)20-9-5-18(24)6-10-20/h3-15H,2H2,1H3,(H,26,29)
InChIKeyWTFXHMPFGBSYHS-UHFFFAOYSA-N
XLogP4.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067679
1-(4-fluorophenyl)-N-(4-methoxyphenyl)-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53002239
1-(3-chlorophenyl)-N,5-dipyridin-4-ylpyrazole-3-carboxamide
CID 11632212
ethyl 1-(4-fluorophenyl)-5-[4-(2-oxoethylamino)phenyl]pyrazole-3-carboxylate
CID 19886165
ethyl 1-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylate
CID 11370315
4-ethyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
CID 17101782
ethyl 1-(4-fluorophenyl)-5-[3-[(2-methylbenzoyl)amino]phenyl]pyrazole-3-carboxylate
CID 46094214
N-(4-chloro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067744
1-(4-fluorophenyl)-N-(2-methylphenyl)-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067775
N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 118215154
1-(4-fluorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372883
ethyl 1-(4-fluorophenyl)-5-[3-[(2,3,5-trifluorobenzoyl)amino]phenyl]pyrazole-3-carboxylate
CID 46094373

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carboxamide (CID 53067889) is N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carboxamide is CCc1ccc(NC(=O)c2cc(-c3ccncc3)n(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carboxamide?
The InChIKey is WTFXHMPFGBSYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O/c1-2-16-3-7-19(8-4-16)26-23(29)21-15-22(17-11-13-25-14-12-17)28(27-21)20-9-5-18(24)6-10-20/h3-15H,2H2,1H3,(H,26,29).
What are the key properties of N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carboxamide?
N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 53067889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).