5-[1-(4-fluorobenzoyl)pyrrolidin-3-yl]-N-phenyl-1H-pyrazole-3-carboxamide

C21H19FN4O2 — CID 110265042

IUPAC5-[1-(4-fluorobenzoyl)pyrrolidin-3-yl]-N-phenyl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(C2CCN(C(=O)c3ccc(F)cc3)C2)[nH]n1
InChIInChI=1S/C21H19FN4O2/c22-16-8-6-14(7-9-16)21(28)26-11-10-15(13-26)18-12-19(25-24-18)20(27)23-17-4-2-1-3-5-17/h1-9,12,15H,10-11,13H2,(H,23,27)(H,24,25)
InChIKeyHRWHHEQQJLQQQY-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.43
Rot. Bonds4

About 5-[1-(4-fluorobenzoyl)pyrrolidin-3-yl]-N-phenyl-1H-pyrazole-3-carboxamide

5-[1-(4-fluorobenzoyl)pyrrolidin-3-yl]-N-phenyl-1H-pyrazole-3-carboxamide (PubChem CID 110265042) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 5-[1-(4-fluorobenzoyl)pyrrolidin-3-yl]-N-phenyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(4-fluorobenzoyl)pyrrolidin-3-yl]-N-phenyl-1H-pyrazole-3-carboxamide
PubChem CID110265042
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name5-[1-(4-fluorobenzoyl)pyrrolidin-3-yl]-N-phenyl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(C2CCN(C(=O)c3ccc(F)cc3)C2)[nH]n1
InChIInChI=1S/C21H19FN4O2/c22-16-8-6-14(7-9-16)21(28)26-11-10-15(13-26)18-12-19(25-24-18)20(27)23-17-4-2-1-3-5-17/h1-9,12,15H,10-11,13H2,(H,23,27)(H,24,25)
InChIKeyHRWHHEQQJLQQQY-UHFFFAOYSA-N
XLogP3.43
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95840496
(4-fluorophenyl)-[(3S)-3-(3-phenylsulfanyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 141269901
5-[(3S)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide
CID 125016140
(4-fluorophenyl)-[(3S)-3-[3-(2,4,6-trifluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 141260766
(4-fluorophenyl)-[(3S)-3-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 141288565
5-[(3R)-1-benzoylpiperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088378
(4-fluorophenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 155512824
N-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 39154401
1-[3-[(4-fluorobenzoyl)amino]benzoyl]piperidine-3-carboxylic acid
CID 119167379
N-[5-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343239
N-[5-[1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 75473815
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorobenzoyl)pyrrolidin-3-yl]-N-phenyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[1-(4-fluorobenzoyl)pyrrolidin-3-yl]-N-phenyl-1H-pyrazole-3-carboxamide (CID 110265042) is 5-[1-(4-fluorobenzoyl)pyrrolidin-3-yl]-N-phenyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-(4-fluorobenzoyl)pyrrolidin-3-yl]-N-phenyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[1-(4-fluorobenzoyl)pyrrolidin-3-yl]-N-phenyl-1H-pyrazole-3-carboxamide is O=C(Nc1ccccc1)c1cc(C2CCN(C(=O)c3ccc(F)cc3)C2)[nH]n1.
What is the InChIKey of 5-[1-(4-fluorobenzoyl)pyrrolidin-3-yl]-N-phenyl-1H-pyrazole-3-carboxamide?
The InChIKey is HRWHHEQQJLQQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c22-16-8-6-14(7-9-16)21(28)26-11-10-15(13-26)18-12-19(25-24-18)20(27)23-17-4-2-1-3-5-17/h1-9,12,15H,10-11,13H2,(H,23,27)(H,24,25).
What are the key properties of 5-[1-(4-fluorobenzoyl)pyrrolidin-3-yl]-N-phenyl-1H-pyrazole-3-carboxamide?
5-[1-(4-fluorobenzoyl)pyrrolidin-3-yl]-N-phenyl-1H-pyrazole-3-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorobenzoyl)pyrrolidin-3-yl]-N-phenyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 110265042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).