5-(4-chloro-2-fluorophenyl)-4-methyl-1,2-dihydropyrazol-3-one

C10H8ClFN2O — CID 57110587

IUPAC5-(4-chloro-2-fluorophenyl)-4-methyl-1,2-dihydropyrazol-3-one
SMILESCc1c(-c2ccc(Cl)cc2F)[nH][nH]c1=O
InChIInChI=1S/C10H8ClFN2O/c1-5-9(13-14-10(5)15)7-3-2-6(11)4-8(7)12/h2-4H,1H3,(H2,13,14,15)
InChIKeyNFPDPEDCMGGODZ-UHFFFAOYSA-N
MW226.64 g/mol
LogP2.47
Rot. Bonds1

About 5-(4-chloro-2-fluorophenyl)-4-methyl-1,2-dihydropyrazol-3-one

5-(4-chloro-2-fluorophenyl)-4-methyl-1,2-dihydropyrazol-3-one (PubChem CID 57110587) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-4-methyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-4-methyl-1,2-dihydropyrazol-3-one
PubChem CID57110587
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name5-(4-chloro-2-fluorophenyl)-4-methyl-1,2-dihydropyrazol-3-one
SMILESCc1c(-c2ccc(Cl)cc2F)[nH][nH]c1=O
InChIInChI=1S/C10H8ClFN2O/c1-5-9(13-14-10(5)15)7-3-2-6(11)4-8(7)12/h2-4H,1H3,(H2,13,14,15)
InChIKeyNFPDPEDCMGGODZ-UHFFFAOYSA-N
XLogP2.47
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 5-(4-chloro-2-fluorophenyl)-4-methyl-1,2-dihydropyrazol-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

3-(3,4-Dichlorophenyl)-1H-pyrazol-5-ol
CID 598633
3-(4-Chlorophenyl)-1H-pyrazol-5-ol
CID 606590
6-(4-Chlorobenzyl)-4-hydroxypyridazin-3(2H)-one
CID 71270354
5-[(3-Chlorophenyl)methyl]-1,2-dihydropyrazol-3-one
CID 464239
4-chloro-N'-[2-(trifluoroacetyl)cyclopent-1-en-1-yl]benzohydrazide
CID 3147001
4-{[(4-chlorobenzyl)amino]methylene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 3567577
4-{[(4-chlorobenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
CID 3825304
3-(2-chlorophenyl)-1H-pyrazol-5-ol
CID 705264
4-(4-Chlorobenzyl)-5-trifluoromethyl-1,2-dihydro-3H-pyrazol-3-one
CID 10754974
5-(4-Chloro-phenyl)-2-methyl-2H-pyrazol-3-ol
CID 23150870
Hydrazine, 1-acetyl-2-(p-chloro-alpha-methylbenzyl)-
CID 3052821
4-Chloro-2-fluorobenzohydrazide
CID 20114809

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-4-methyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-4-methyl-1,2-dihydropyrazol-3-one (CID 57110587) is 5-(4-chloro-2-fluorophenyl)-4-methyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-4-methyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-4-methyl-1,2-dihydropyrazol-3-one is Cc1c(-c2ccc(Cl)cc2F)[nH][nH]c1=O.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-4-methyl-1,2-dihydropyrazol-3-one?
The InChIKey is NFPDPEDCMGGODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c1-5-9(13-14-10(5)15)7-3-2-6(11)4-8(7)12/h2-4H,1H3,(H2,13,14,15).
What are the key properties of 5-(4-chloro-2-fluorophenyl)-4-methyl-1,2-dihydropyrazol-3-one?
5-(4-chloro-2-fluorophenyl)-4-methyl-1,2-dihydropyrazol-3-one has a molecular weight of 226.64 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenyl)-4-methyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 57110587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).