4-amino-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one

C14H16N4O — CID 168699785

IUPAC4-amino-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one
SMILESCc1cc(N2CC(N)CC2=O)n(-c2ccccc2)n1
InChIInChI=1S/C14H16N4O/c1-10-7-13(17-9-11(15)8-14(17)19)18(16-10)12-5-3-2-4-6-12/h2-7,11H,8-9,15H2,1H3
InChIKeyUIPMQTFUHFMRDS-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.24
Rot. Bonds2

About 4-amino-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one

4-amino-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one (PubChem CID 168699785) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-amino-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one
PubChem CID168699785
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-amino-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one
SMILESCc1cc(N2CC(N)CC2=O)n(-c2ccccc2)n1
InChIInChI=1S/C14H16N4O/c1-10-7-13(17-9-11(15)8-14(17)19)18(16-10)12-5-3-2-4-6-12/h2-7,11H,8-9,15H2,1H3
InChIKeyUIPMQTFUHFMRDS-UHFFFAOYSA-N
XLogP1.24
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(hydroxymethyl)-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one
CID 168662663
4-(chloromethyl)-1-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyrrolidin-2-one
CID 168507800
5-(4-amino-2-oxopyrrolidin-1-yl)-2-phenylpyridazin-3-one
CID 168700057
4-amino-1-(3-phenylphenyl)pyrrolidin-2-one
CID 168700983
1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663980
4-amino-1-(3-bromophenyl)pyrrolidin-2-one
CID 43521015
4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 71779044
(4R)-4-amino-1-(3-fluorophenyl)pyrrolidin-2-one
CID 26365707
4-amino-1-(4-benzylphenyl)pyrrolidin-2-one
CID 168701095
(4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one
CID 93094958
4-amino-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one
CID 62813427
4-amino-1-(4-methyl-2-pyridinyl)pyrrolidin-2-one
CID 43521184

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one (CID 168699785) is 4-amino-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one is Cc1cc(N2CC(N)CC2=O)n(-c2ccccc2)n1.
What is the InChIKey of 4-amino-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is UIPMQTFUHFMRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10-7-13(17-9-11(15)8-14(17)19)18(16-10)12-5-3-2-4-6-12/h2-7,11H,8-9,15H2,1H3.
What are the key properties of 4-amino-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one?
4-amino-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 256.31 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 168699785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).