[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-(3-methylpyrrolidin-1-yl)methanone

C19H18ClN3O2 — CID 86877598

IUPAC[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)C1
InChIInChI=1S/C19H18ClN3O2/c1-13-7-8-22(12-13)19(24)16-11-17(18-6-3-9-25-18)23(21-16)15-5-2-4-14(20)10-15/h2-6,9-11,13H,7-8,12H2,1H3
InChIKeyUROOPDONODIPHJ-UHFFFAOYSA-N
MW355.82 g/mol
LogP4.27
Rot. Bonds3

About [1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-(3-methylpyrrolidin-1-yl)methanone

[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 86877598) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.82 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-(3-methylpyrrolidin-1-yl)methanone
PubChem CID86877598
Molecular FormulaC19H18ClN3O2
Molecular Weight355.82 g/mol
Exact Mass355.11
IUPAC Name[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)C1
InChIInChI=1S/C19H18ClN3O2/c1-13-7-8-22(12-13)19(24)16-11-17(18-6-3-9-25-18)23(21-16)15-5-2-4-14(20)10-15/h2-6,9-11,13H,7-8,12H2,1H3
InChIKeyUROOPDONODIPHJ-UHFFFAOYSA-N
XLogP4.27
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-(3-methylpyrrolidin-1-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-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119540653
1-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N,N-dimethylpiperidine-4-carboxamide
CID 99177758
[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38602656
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]methanone
CID 120807615
[1-(3-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 1053517
(4-aminopiperidin-1-yl)-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]methanone;hydrochloride
CID 119376116
1-(3-chlorophenyl)-N,N-diethyl-5-(furan-2-yl)pyrazole-3-carboxamide
CID 34838039
1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
CID 56509601
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 119457602
[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-(4-methylidenepiperidin-1-yl)methanone
CID 56546941
N-(3-acetamidophenyl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 55514182
[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]methanone
CID 124692748

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-(3-methylpyrrolidin-1-yl)methanone (CID 86877598) is [1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-(3-methylpyrrolidin-1-yl)methanone is CC1CCN(C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)C1.
What is the InChIKey of [1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is UROOPDONODIPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-13-7-8-22(12-13)19(24)16-11-17(18-6-3-9-25-18)23(21-16)15-5-2-4-14(20)10-15/h2-6,9-11,13H,7-8,12H2,1H3.
What are the key properties of [1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-(3-methylpyrrolidin-1-yl)methanone?
[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 355.82 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 86877598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).