1-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidin-2-one

C13H13N3O — CID 175851778

IUPAC1-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C13H13N3O/c17-13-2-1-9-16(13)11-5-3-10(4-6-11)12-7-8-14-15-12/h3-8H,1-2,9H2,(H,14,15)
InChIKeyUUGBQUJWWBDYNF-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.20
Rot. Bonds2

About 1-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidin-2-one

1-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidin-2-one (PubChem CID 175851778) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidin-2-one
PubChem CID175851778
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name1-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C13H13N3O/c17-13-2-1-9-16(13)11-5-3-10(4-6-11)12-7-8-14-15-12/h3-8H,1-2,9H2,(H,14,15)
InChIKeyUUGBQUJWWBDYNF-UHFFFAOYSA-N
XLogP2.20
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
1-[4-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 142612606
1-(4-piperazin-1-ylphenyl)pyrrolidin-2-one
CID 82513628
1-[4-(4-methyl-5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 146769068
1-(4-aminophenyl)piperidin-2-one
CID 11458178
1-[4-(methylamino)phenyl]pyrrolidin-2-one
CID 54310012
1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 102501069
1-(4-ethynylphenyl)pyrrolidin-2-one
CID 134367557
1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 70517179
(4R)-4-methyl-3-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 71576735
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 60912388

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidin-2-one (CID 175851778) is 1-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 1-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidin-2-one?
The InChIKey is UUGBQUJWWBDYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c17-13-2-1-9-16(13)11-5-3-10(4-6-11)12-7-8-14-15-12/h3-8H,1-2,9H2,(H,14,15).
What are the key properties of 1-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidin-2-one?
1-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidin-2-one has a molecular weight of 227.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 175851778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).