(2S)-1-(2-fluorobenzoyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide

C21H19FN4O2 — CID 42194479

IUPAC(2S)-1-(2-fluorobenzoyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN1C(=O)c1ccccc1F
InChIInChI=1S/C21H19FN4O2/c22-18-9-2-1-8-17(18)21(28)25-12-4-10-19(25)20(27)24-15-6-3-7-16(14-15)26-13-5-11-23-26/h1-3,5-9,11,13-14,19H,4,10,12H2,(H,24,27)/t19-/m0/s1
InChIKeyOPLWSPAHWGOZDD-IBGZPJMESA-N
MW378.41 g/mol
LogP3.25
Rot. Bonds4

About (2S)-1-(2-fluorobenzoyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide

(2S)-1-(2-fluorobenzoyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide (PubChem CID 42194479) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is (2S)-1-(2-fluorobenzoyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-fluorobenzoyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
PubChem CID42194479
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name(2S)-1-(2-fluorobenzoyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN1C(=O)c1ccccc1F
InChIInChI=1S/C21H19FN4O2/c22-18-9-2-1-8-17(18)21(28)25-12-4-10-19(25)20(27)24-15-6-3-7-16(14-15)26-13-5-11-23-26/h1-3,5-9,11,13-14,19H,4,10,12H2,(H,24,27)/t19-/m0/s1
InChIKeyOPLWSPAHWGOZDD-IBGZPJMESA-N
XLogP3.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2,6-difluorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 51606058
(2R)-1-N-prop-2-enyl-2-N-(3-pyrazol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide
CID 42595070
N-(4-chlorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 46748924
(2S)-1-(2-fluorobenzoyl)-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 92668196
1-[2-(1-methylpyrrol-3-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 45215654
(2R)-N-(3-pyrazol-1-ylphenyl)-1-[3-(1H-pyrazol-4-yl)propanoyl]pyrrolidine-2-carboxamide
CID 26390979
(2S)-1-(2,2-dimethylpropyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 25366994
1-(3-methylbut-2-enyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 45216712
1-(1-acetylpyrrolidine-2-carbonyl)-N-(3-pyrazol-1-ylphenyl)azetidine-3-carboxamide
CID 110247020
(2S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 72935452
1-(4-chloro-2-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 42948700
1-(2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61051030

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-fluorobenzoyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(2-fluorobenzoyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide (CID 42194479) is (2S)-1-(2-fluorobenzoyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-fluorobenzoyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-fluorobenzoyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide is O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN1C(=O)c1ccccc1F.
What is the InChIKey of (2S)-1-(2-fluorobenzoyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is OPLWSPAHWGOZDD-IBGZPJMESA-N. The full InChI is InChI=1S/C21H19FN4O2/c22-18-9-2-1-8-17(18)21(28)25-12-4-10-19(25)20(27)24-15-6-3-7-16(14-15)26-13-5-11-23-26/h1-3,5-9,11,13-14,19H,4,10,12H2,(H,24,27)/t19-/m0/s1.
What are the key properties of (2S)-1-(2-fluorobenzoyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide?
(2S)-1-(2-fluorobenzoyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-fluorobenzoyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42194479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).