1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpyrrolidin-2-one

C20H19N3O2 — CID 118239075

IUPAC1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpyrrolidin-2-one
SMILESCOc1cc(N2CCC(c3ccccc3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C20H19N3O2/c1-25-19-11-16(7-8-17(19)15-12-21-22-13-15)23-10-9-18(20(23)24)14-5-3-2-4-6-14/h2-8,11-13,18H,9-10H2,1H3,(H,21,22)
InChIKeyZXFSZDSOYCILTC-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.61
Rot. Bonds4

About 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpyrrolidin-2-one

1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpyrrolidin-2-one (PubChem CID 118239075) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpyrrolidin-2-one
PubChem CID118239075
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpyrrolidin-2-one
SMILESCOc1cc(N2CCC(c3ccccc3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C20H19N3O2/c1-25-19-11-16(7-8-17(19)15-12-21-22-13-15)23-10-9-18(20(23)24)14-5-3-2-4-6-14/h2-8,11-13,18H,9-10H2,1H3,(H,21,22)
InChIKeyZXFSZDSOYCILTC-UHFFFAOYSA-N
XLogP3.61
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-(1H-pyrazol-4-yl)phenyl)chroman-3-carboxamide
CID 25154768
N-(2-fluoro-4-(1H-pyrazol-4-yl)phenyl)chroman-3-carboxamide
CID 44124543
N-(3-(2-(dimethylamino)ethoxy)-4-(1H-pyrazol-4-yl)phenyl)chroman-3-carboxamide
CID 44124544
6-methoxy-N-(3-methoxy-4-(1H-pyrazol-4-yl)phenyl)chroman-3-carboxamide
CID 44571471
N-(3-methoxy-4-(1H-pyrazol-4-yl)phenyl)chroman-3-carboxamide
CID 44571520
N-(2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)phenyl)chroman-3-carboxamide
CID 44571557
N-(4-(1H-pyrazol-4-yl)phenyl)-6-fluorochroman-3-carboxamide
CID 44571597
N-(4-(1H-pyrazol-4-yl)phenyl)-6-methylchroman-3-carboxamide
CID 44571599
6-fluoro-N-(3-methoxy-4-(1H-pyrazol-4-yl)phenyl)chroman-3-carboxamide
CID 44571682
N-(3-methoxy-4-(1H-pyrazol-4-yl)phenyl)-6-methylchroman-3-carboxamide
CID 44571777
2-(2-chlorophenyl)-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetamide
CID 76070564
(2R)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-4-phenylbutanamide
CID 77843971

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpyrrolidin-2-one?
The IUPAC name of 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpyrrolidin-2-one (CID 118239075) is 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpyrrolidin-2-one.
What is the SMILES notation for 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpyrrolidin-2-one?
The canonical SMILES for 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpyrrolidin-2-one is COc1cc(N2CCC(c3ccccc3)C2=O)ccc1-c1cn[nH]c1.
What is the InChIKey of 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpyrrolidin-2-one?
The InChIKey is ZXFSZDSOYCILTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-25-19-11-16(7-8-17(19)15-12-21-22-13-15)23-10-9-18(20(23)24)14-5-3-2-4-6-14/h2-8,11-13,18H,9-10H2,1H3,(H,21,22).
What are the key properties of 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpyrrolidin-2-one?
1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpyrrolidin-2-one has a molecular weight of 333.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-phenylpyrrolidin-2-one is sourced from PubChem (CID 118239075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).