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

C19H16ClN3O — CID 118239053

IUPAC3-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
SMILESO=C1C(c2ccc(Cl)cc2)CCN1c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C19H16ClN3O/c20-16-5-1-14(2-6-16)18-9-10-23(19(18)24)17-7-3-13(4-8-17)15-11-21-22-12-15/h1-8,11-12,18H,9-10H2,(H,21,22)
InChIKeyMROLISXVHFKEAO-UHFFFAOYSA-N
MW337.81 g/mol
LogP4.25
Rot. Bonds3

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

3-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one (PubChem CID 118239053) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
PubChem CID118239053
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name3-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
SMILESO=C1C(c2ccc(Cl)cc2)CCN1c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C19H16ClN3O/c20-16-5-1-14(2-6-16)18-9-10-23(19(18)24)17-7-3-13(4-8-17)15-11-21-22-12-15/h1-8,11-12,18H,9-10H2,(H,21,22)
InChIKeyMROLISXVHFKEAO-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 3-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one (CID 118239053) is 3-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one is O=C1C(c2ccc(Cl)cc2)CCN1c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The InChIKey is MROLISXVHFKEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c20-16-5-1-14(2-6-16)18-9-10-23(19(18)24)17-7-3-13(4-8-17)15-11-21-22-12-15/h1-8,11-12,18H,9-10H2,(H,21,22).
What are the key properties of 3-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
3-(4-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-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 118239053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).