3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one

C19H16ClN3O — CID 118239017

IUPAC3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
SMILESO=C1C(c2cccc(Cl)c2)CCN1c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C19H16ClN3O/c20-16-3-1-2-14(10-16)18-8-9-23(19(18)24)17-6-4-13(5-7-17)15-11-21-22-12-15/h1-7,10-12,18H,8-9H2,(H,21,22)
InChIKeyBWYMYRRNENAMMQ-UHFFFAOYSA-N
MW337.81 g/mol
LogP4.25
Rot. Bonds3

About 3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one

3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one (PubChem CID 118239017) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
PubChem CID118239017
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
SMILESO=C1C(c2cccc(Cl)c2)CCN1c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C19H16ClN3O/c20-16-3-1-2-14(10-16)18-8-9-23(19(18)24)17-6-4-13(5-7-17)15-11-21-22-12-15/h1-7,10-12,18H,8-9H2,(H,21,22)
InChIKeyBWYMYRRNENAMMQ-UHFFFAOYSA-N
XLogP4.25
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-2-(4-chlorophenyl)-acetamide
CID 46900281
N-[(3-chlorophenyl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]-2-(pyridin-3-yl)acetamide
CID 156027238
1-[(3-chlorophenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68565840
N-(4-(1H-Pyrazol-4-yl)phenyl)-3-phenylpropanamide
CID 70896884
3-(4-fluorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 118238989
3-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 118239053
N-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-3-(3-chlorophenyl)-propanamide
CID 46900279
N-(4-chlorophenyl)-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide
CID 121318061
3-amino-N-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-2-phenylpropanamide
CID 156562807
(3S,4R)-4-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidine-3-carboxamide
CID 171348559
2-[3-(3-chlorophenyl)-1-[4-(2-piperidin-1-ylethyl)phenyl]pyrazol-4-yl]-N-propan-2-ylacetamide
CID 86581315
US11479533, Example 16
CID 137425509

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one (CID 118239017) is 3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one is O=C1C(c2cccc(Cl)c2)CCN1c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The InChIKey is BWYMYRRNENAMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c20-16-3-1-2-14(10-16)18-8-9-23(19(18)24)17-6-4-13(5-7-17)15-11-21-22-12-15/h1-7,10-12,18H,8-9H2,(H,21,22).
What are the key properties of 3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one has a molecular weight of 337.81 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 118239017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).