1-[2-[3-(3,4-difluorophenyl)propanoyl]-5-methyl-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one

C17H19F2N3O2 — CID 142988464

IUPAC1-[2-[3-(3,4-difluorophenyl)propanoyl]-5-methyl-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one
SMILESCC1=NN(C(=O)CCc2ccc(F)c(F)c2)CC1N1CCCC1=O
InChIInChI=1S/C17H19F2N3O2/c1-11-15(21-8-2-3-16(21)23)10-22(20-11)17(24)7-5-12-4-6-13(18)14(19)9-12/h4,6,9,15H,2-3,5,7-8,10H2,1H3
InChIKeyOXWPQWPGECSCOI-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.11
Rot. Bonds4

About 1-[2-[3-(3,4-difluorophenyl)propanoyl]-5-methyl-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one

1-[2-[3-(3,4-difluorophenyl)propanoyl]-5-methyl-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one (PubChem CID 142988464) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is 1-[2-[3-(3,4-difluorophenyl)propanoyl]-5-methyl-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-(3,4-difluorophenyl)propanoyl]-5-methyl-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one
PubChem CID142988464
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC Name1-[2-[3-(3,4-difluorophenyl)propanoyl]-5-methyl-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one
SMILESCC1=NN(C(=O)CCc2ccc(F)c(F)c2)CC1N1CCCC1=O
InChIInChI=1S/C17H19F2N3O2/c1-11-15(21-8-2-3-16(21)23)10-22(20-11)17(24)7-5-12-4-6-13(18)14(19)9-12/h4,6,9,15H,2-3,5,7-8,10H2,1H3
InChIKeyOXWPQWPGECSCOI-UHFFFAOYSA-N
XLogP2.11
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(3,4-difluorophenyl)propanoyl]-5-methyl-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[3-(3,4-difluorophenyl)propanoyl]-5-methyl-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one (CID 142988464) is 1-[2-[3-(3,4-difluorophenyl)propanoyl]-5-methyl-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[3-(3,4-difluorophenyl)propanoyl]-5-methyl-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[3-(3,4-difluorophenyl)propanoyl]-5-methyl-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one is CC1=NN(C(=O)CCc2ccc(F)c(F)c2)CC1N1CCCC1=O.
What is the InChIKey of 1-[2-[3-(3,4-difluorophenyl)propanoyl]-5-methyl-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one?
The InChIKey is OXWPQWPGECSCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-11-15(21-8-2-3-16(21)23)10-22(20-11)17(24)7-5-12-4-6-13(18)14(19)9-12/h4,6,9,15H,2-3,5,7-8,10H2,1H3.
What are the key properties of 1-[2-[3-(3,4-difluorophenyl)propanoyl]-5-methyl-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one?
1-[2-[3-(3,4-difluorophenyl)propanoyl]-5-methyl-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 335.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(3,4-difluorophenyl)propanoyl]-5-methyl-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 142988464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).