[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone

C21H20FN3O — CID 55758691

IUPAC[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCCC2c2ccc(F)cc2)nn1-c1ccccc1
InChIInChI=1S/C21H20FN3O/c1-15-14-19(23-25(15)18-6-3-2-4-7-18)21(26)24-13-5-8-20(24)16-9-11-17(22)12-10-16/h2-4,6-7,9-12,14,20H,5,8,13H2,1H3
InChIKeyNLYQDGQEHDIQFM-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.30
Rot. Bonds3

About [2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone

[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone (PubChem CID 55758691) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is [2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone
PubChem CID55758691
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCCC2c2ccc(F)cc2)nn1-c1ccccc1
InChIInChI=1S/C21H20FN3O/c1-15-14-19(23-25(15)18-6-3-2-4-7-18)21(26)24-13-5-8-20(24)16-9-11-17(22)12-10-16/h2-4,6-7,9-12,14,20H,5,8,13H2,1H3
InChIKeyNLYQDGQEHDIQFM-UHFFFAOYSA-N
XLogP4.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(1-Pyrrolidinylcarbonyl)phenyl]-3-(Trifluoromethyl)-4,5,6,7-Tetrahydro-1h-Indazole
CID 4862343
1-{4-[2-Oxo-2-(1-Pyrrolidinyl)ethyl]phenyl}-3-(Trifluoromethyl)-4,5,6,7-Tetrahydro-1h-Indazole
CID 24827045
1-({2-Fluoro-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1Hindazol-1-yl]phenyl}methyl)-2-pyrrolidinone
CID 25015611
N5-(4-methylphenyl)-1-benzyl-3-(tert-butyl)-1H-pyrazole-5-carboxamide
CID 2744532
1H-Pyrazole-4-acetamide, 3,5-dimethyl-1-phenyl-N-(phenylmethyl)-
CID 3079322
Ab-chfupyca
CID 122213879
1-(3-{[(2S)-2-aminopropanamido]methyl}phenyl)-N-benzyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 24962989
3-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-phenylpyrazole-5-carboxamide
CID 9205925
N-(4-fluorobenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015293
3-methyl-N-(4-methylbenzyl)-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015294
N'-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-4-fluorobenzohydrazide
CID 6874619
N-cyclohexyl-5-cyclopropyl-2-phenylpyrazole-3-carboxamide
CID 9205921

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone?
The IUPAC name of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone (CID 55758691) is [2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCCC2c2ccc(F)cc2)nn1-c1ccccc1.
What is the InChIKey of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone?
The InChIKey is NLYQDGQEHDIQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-15-14-19(23-25(15)18-6-3-2-4-7-18)21(26)24-13-5-8-20(24)16-9-11-17(22)12-10-16/h2-4,6-7,9-12,14,20H,5,8,13H2,1H3.
What are the key properties of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone?
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone has a molecular weight of 349.41 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 55758691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).