1-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

C22H21FN4O2 — CID 55600235

IUPAC1-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(Cn2nccc2NC(=O)C2CC(=O)N(c3ccccc3F)C2)c1
InChIInChI=1S/C22H21FN4O2/c1-15-5-4-6-16(11-15)13-27-20(9-10-24-27)25-22(29)17-12-21(28)26(14-17)19-8-3-2-7-18(19)23/h2-11,17H,12-14H2,1H3,(H,25,29)
InChIKeyQDWNUVBXDXOQLY-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.37
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

1-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55600235) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55600235
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name1-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(Cn2nccc2NC(=O)C2CC(=O)N(c3ccccc3F)C2)c1
InChIInChI=1S/C22H21FN4O2/c1-15-5-4-6-16(11-15)13-27-20(9-10-24-27)25-22(29)17-12-21(28)26(14-17)19-8-3-2-7-18(19)23/h2-11,17H,12-14H2,1H3,(H,25,29)
InChIKeyQDWNUVBXDXOQLY-UHFFFAOYSA-N
XLogP3.37
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 580303
1-(2-fluorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 2926625
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55776717
(3R)-1-(2-ethylphenyl)-5-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 52509395
N-(2-butylpyrazol-3-yl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55674367
1-(2-fluorophenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 18886113
(3S)-N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30845832
N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43053914
1-benzyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 78806628
1-(2,5-dimethoxyphenyl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 43059769
1-(2,3-dichlorophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191341
N-(3-ethylphenyl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46686190

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (CID 55600235) is 1-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is Cc1cccc(Cn2nccc2NC(=O)C2CC(=O)N(c3ccccc3F)C2)c1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QDWNUVBXDXOQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-15-5-4-6-16(11-15)13-27-20(9-10-24-27)25-22(29)17-12-21(28)26(14-17)19-8-3-2-7-18(19)23/h2-11,17H,12-14H2,1H3,(H,25,29).
What are the key properties of 1-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
1-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55600235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).