2-(2-chloro-4-fluorophenyl)-5-propan-2-yl-4H-pyrazol-3-one

C12H12ClFN2O — CID 138044569

IUPAC2-(2-chloro-4-fluorophenyl)-5-propan-2-yl-4H-pyrazol-3-one
SMILESCC(C)C1=NN(c2ccc(F)cc2Cl)C(=O)C1
InChIInChI=1S/C12H12ClFN2O/c1-7(2)10-6-12(17)16(15-10)11-4-3-8(14)5-9(11)13/h3-5,7H,6H2,1-2H3
InChIKeyJIBVHRRQFBBOQW-UHFFFAOYSA-N
MW254.69 g/mol
LogP3.23
Rot. Bonds2

About 2-(2-chloro-4-fluorophenyl)-5-propan-2-yl-4H-pyrazol-3-one

2-(2-chloro-4-fluorophenyl)-5-propan-2-yl-4H-pyrazol-3-one (PubChem CID 138044569) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-5-propan-2-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-5-propan-2-yl-4H-pyrazol-3-one
PubChem CID138044569
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC Name2-(2-chloro-4-fluorophenyl)-5-propan-2-yl-4H-pyrazol-3-one
SMILESCC(C)C1=NN(c2ccc(F)cc2Cl)C(=O)C1
InChIInChI=1S/C12H12ClFN2O/c1-7(2)10-6-12(17)16(15-10)11-4-3-8(14)5-9(11)13/h3-5,7H,6H2,1-2H3
InChIKeyJIBVHRRQFBBOQW-UHFFFAOYSA-N
XLogP3.23
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-chloro-4-fluorophenyl)-5-propan-2-yl-4H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-fluorophenyl)methyl]-5-propan-2-yl-4H-pyrazol-3-one
CID 60983087
2-(4-methylphenyl)-5-propan-2-yl-4H-pyrazol-3-one
CID 43084359
5-cyclopropyl-2-(2,4-difluorophenyl)-4H-pyrazol-3-one
CID 63352773
2-(2,4-difluorophenyl)-5-ethyl-4H-pyrazol-3-one
CID 43084354
6-fluoro-1-propan-2-yl-3H-indol-2-one
CID 117206076
2-[2-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-pyrazol-3-one
CID 14231213
5-cyclopropyl-2-(2,5-difluorophenyl)-4H-pyrazol-3-one
CID 68679875
1-(2-chloro-4-fluorophenyl)-1,4-diazepane-2,5-dione
CID 64961447
2-(2-chloro-4-fluorophenyl)triazole
CID 72711579
1-(2-chloro-4-fluorophenyl)piperidine
CID 174904360
1-(2-chloro-4-fluorophenyl)pyrazole
CID 91212691
(2-chloro-4-fluorophenyl) thiohypochlorite
CID 86633008

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-5-propan-2-yl-4H-pyrazol-3-one?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-5-propan-2-yl-4H-pyrazol-3-one (CID 138044569) is 2-(2-chloro-4-fluorophenyl)-5-propan-2-yl-4H-pyrazol-3-one.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-5-propan-2-yl-4H-pyrazol-3-one?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-5-propan-2-yl-4H-pyrazol-3-one is CC(C)C1=NN(c2ccc(F)cc2Cl)C(=O)C1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-5-propan-2-yl-4H-pyrazol-3-one?
The InChIKey is JIBVHRRQFBBOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c1-7(2)10-6-12(17)16(15-10)11-4-3-8(14)5-9(11)13/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-5-propan-2-yl-4H-pyrazol-3-one?
2-(2-chloro-4-fluorophenyl)-5-propan-2-yl-4H-pyrazol-3-one has a molecular weight of 254.69 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-5-propan-2-yl-4H-pyrazol-3-one is sourced from PubChem (CID 138044569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).