1-(1-methylpyrazol-4-yl)-3-phenylpyrrolidin-2-one

C14H15N3O — CID 175939798

IUPAC1-(1-methylpyrazol-4-yl)-3-phenylpyrrolidin-2-one
SMILESCn1cc(N2CCC(c3ccccc3)C2=O)cn1
InChIInChI=1S/C14H15N3O/c1-16-10-12(9-15-16)17-8-7-13(14(17)18)11-5-3-2-4-6-11/h2-6,9-10,13H,7-8H2,1H3
InChIKeyPEWFDHMOSFDYLE-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.94
Rot. Bonds2

About 1-(1-methylpyrazol-4-yl)-3-phenylpyrrolidin-2-one

1-(1-methylpyrazol-4-yl)-3-phenylpyrrolidin-2-one (PubChem CID 175939798) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-3-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-3-phenylpyrrolidin-2-one
PubChem CID175939798
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-(1-methylpyrazol-4-yl)-3-phenylpyrrolidin-2-one
SMILESCn1cc(N2CCC(c3ccccc3)C2=O)cn1
InChIInChI=1S/C14H15N3O/c1-16-10-12(9-15-16)17-8-7-13(14(17)18)11-5-3-2-4-6-11/h2-6,9-10,13H,7-8H2,1H3
InChIKeyPEWFDHMOSFDYLE-UHFFFAOYSA-N
XLogP1.94
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpyrazol-4-yl)-3-(pyridin-2-ylamino)pyrrolidin-2-one
CID 133306421
(Z)-N-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
CID 98525887
3-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 86769476
1-(1-methylpyrazol-4-yl)-3-[(4-phenylquinazolin-2-yl)amino]pyrrolidin-2-one
CID 133306428
1-(1-methylpyrazol-4-yl)-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pyrrolidin-2-one
CID 133483354
2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]-3H-quinazolin-4-one
CID 137271144
3-[(6-benzylsulfanylpyrazin-2-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 133389739
6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122053869
1-[3-nitroso-5-(trifluoromethyl)phenyl]-3-phenylpyrrolidin-2-one
CID 177043863
1-(1-methylpyrazol-4-yl)-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one
CID 133483353
3-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylpropanamide
CID 119951802
(2S)-N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-phenylpentanamide
CID 95629604

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-3-phenylpyrrolidin-2-one?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-3-phenylpyrrolidin-2-one (CID 175939798) is 1-(1-methylpyrazol-4-yl)-3-phenylpyrrolidin-2-one.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-3-phenylpyrrolidin-2-one?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-3-phenylpyrrolidin-2-one is Cn1cc(N2CCC(c3ccccc3)C2=O)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-3-phenylpyrrolidin-2-one?
The InChIKey is PEWFDHMOSFDYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-16-10-12(9-15-16)17-8-7-13(14(17)18)11-5-3-2-4-6-11/h2-6,9-10,13H,7-8H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-3-phenylpyrrolidin-2-one?
1-(1-methylpyrazol-4-yl)-3-phenylpyrrolidin-2-one has a molecular weight of 241.29 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-3-phenylpyrrolidin-2-one is sourced from PubChem (CID 175939798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).