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

C19H16ClN3O — CID 125488196

IUPAC(3R)-3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
SMILESO=C1[C@@H](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)/t18-/m1/s1
InChIKeyBWYMYRRNENAMMQ-GOSISDBHSA-N
MW337.81 g/mol
LogP4.25
Rot. Bonds3

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

(3R)-3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one (PubChem CID 125488196) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is (3R)-3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
PubChem CID125488196
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name(3R)-3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
SMILESO=C1[C@@H](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)/t18-/m1/s1
InChIKeyBWYMYRRNENAMMQ-GOSISDBHSA-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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of (3R)-3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one (CID 125488196) is (3R)-3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for (3R)-3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one is O=C1[C@@H](c2cccc(Cl)c2)CCN1c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of (3R)-3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The InChIKey is BWYMYRRNENAMMQ-GOSISDBHSA-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)/t18-/m1/s1.
What are the key properties of (3R)-3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
(3R)-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 (3R)-3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 125488196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).