5-cyclopropyl-2-(2,4-difluorophenyl)-4H-pyrazol-3-one

C12H10F2N2O — CID 63352773

IUPAC5-cyclopropyl-2-(2,4-difluorophenyl)-4H-pyrazol-3-one
SMILESO=C1CC(C2CC2)=NN1c1ccc(F)cc1F
InChIInChI=1S/C12H10F2N2O/c13-8-3-4-11(9(14)5-8)16-12(17)6-10(15-16)7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyJWKPDDXZCWZHBC-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.47
Rot. Bonds2

About 5-cyclopropyl-2-(2,4-difluorophenyl)-4H-pyrazol-3-one

5-cyclopropyl-2-(2,4-difluorophenyl)-4H-pyrazol-3-one (PubChem CID 63352773) has the molecular formula C12H10F2N2O and a molecular weight of 236.22 g/mol. Its IUPAC name is 5-cyclopropyl-2-(2,4-difluorophenyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-cyclopropyl-2-(2,4-difluorophenyl)-4H-pyrazol-3-one
PubChem CID63352773
Molecular FormulaC12H10F2N2O
Molecular Weight236.22 g/mol
Exact Mass236.08
IUPAC Name5-cyclopropyl-2-(2,4-difluorophenyl)-4H-pyrazol-3-one
SMILESO=C1CC(C2CC2)=NN1c1ccc(F)cc1F
InChIInChI=1S/C12H10F2N2O/c13-8-3-4-11(9(14)5-8)16-12(17)6-10(15-16)7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyJWKPDDXZCWZHBC-UHFFFAOYSA-N
XLogP2.47
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-2-(2,5-difluorophenyl)-4H-pyrazol-3-one
CID 68679875
2-(2,4-difluorophenyl)-5-ethyl-4H-pyrazol-3-one
CID 43084354
5-cyclopropyl-2-(2,5-dimethylphenyl)-4H-pyrazol-3-one
CID 63352725
(3aR)-2-(2,4-difluorophenyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-one
CID 98078163
2-(2,4-difluorophenyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-one
CID 60646538
2-(2-chloro-4-fluorophenyl)-5-propan-2-yl-4H-pyrazol-3-one
CID 138044569
2-(2,4-difluorophenyl)-4-(2-hydroxyethyl)-5-methyl-4H-pyrazol-3-one
CID 116817689
(2R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 42260924
1-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione
CID 2732328
4-chloro-1-(2,4-difluorophenyl)pyrrolidin-2-one
CID 168689348
4-(2,4-difluorophenyl)thiomorpholine-3,5-dione
CID 2732309
4-(chloromethyl)-5-cyclopropyl-1-(2,4-difluorophenyl)pyrazole
CID 66439229

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(2,4-difluorophenyl)-4H-pyrazol-3-one?
The IUPAC name of 5-cyclopropyl-2-(2,4-difluorophenyl)-4H-pyrazol-3-one (CID 63352773) is 5-cyclopropyl-2-(2,4-difluorophenyl)-4H-pyrazol-3-one.
What is the SMILES notation for 5-cyclopropyl-2-(2,4-difluorophenyl)-4H-pyrazol-3-one?
The canonical SMILES for 5-cyclopropyl-2-(2,4-difluorophenyl)-4H-pyrazol-3-one is O=C1CC(C2CC2)=NN1c1ccc(F)cc1F.
What is the InChIKey of 5-cyclopropyl-2-(2,4-difluorophenyl)-4H-pyrazol-3-one?
The InChIKey is JWKPDDXZCWZHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O/c13-8-3-4-11(9(14)5-8)16-12(17)6-10(15-16)7-1-2-7/h3-5,7H,1-2,6H2.
What are the key properties of 5-cyclopropyl-2-(2,4-difluorophenyl)-4H-pyrazol-3-one?
5-cyclopropyl-2-(2,4-difluorophenyl)-4H-pyrazol-3-one has a molecular weight of 236.22 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(2,4-difluorophenyl)-4H-pyrazol-3-one is sourced from PubChem (CID 63352773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).