4-chloro-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one

C5H4ClF3N2O — CID 10943520

IUPAC4-chloro-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one
SMILESCn1[nH]c(=O)c(Cl)c1C(F)(F)F
InChIInChI=1S/C5H4ClF3N2O/c1-11-3(5(7,8)9)2(6)4(12)10-11/h1H3,(H,10,12)
InChIKeyJNMGOISNDBCDBN-UHFFFAOYSA-N
MW200.55 g/mol
LogP1.39
Rot. Bonds

About 4-chloro-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one

4-chloro-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one (PubChem CID 10943520) has the molecular formula C5H4ClF3N2O and a molecular weight of 200.55 g/mol. Its IUPAC name is 4-chloro-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one.

Molecular Properties

Compound Name4-chloro-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one
PubChem CID10943520
Molecular FormulaC5H4ClF3N2O
Molecular Weight200.55 g/mol
Exact Mass200.00
IUPAC Name4-chloro-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one
SMILESCn1[nH]c(=O)c(Cl)c1C(F)(F)F
InChIInChI=1S/C5H4ClF3N2O/c1-11-3(5(7,8)9)2(6)4(12)10-11/h1H3,(H,10,12)
InChIKeyJNMGOISNDBCDBN-UHFFFAOYSA-N
XLogP1.39
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.55
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-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-[chloro(difluoro)methyl]-2-methyl-1H-pyrazol-5-one
CID 10261767
5-[chloro(difluoro)methyl]-2-methyl-1H-pyrazol-3-one
CID 10081057
4-chloro-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazol-5-one
CID 14693190
4-fluoro-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one
CID 14693192
4-chloro-3-(difluoromethyl)-2-methyl-1H-pyrazol-5-one
CID 14693194
4-iodo-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one
CID 14693195
1-Methyl-3-hydroxy-4-fluoro-5-difluoromethylpyrazole
CID 14693196
4-chloro-2-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 21244029
4-Chloro-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one
CID 83398763
4-fluoro-2-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 89032547
4-chloro-5-methyl-2-(trifluoromethyl)-1H-pyrazol-3-one
CID 91108962
4-chloro-2-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 117670122

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one?
The IUPAC name of 4-chloro-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one (CID 10943520) is 4-chloro-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one.
What is the SMILES notation for 4-chloro-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one?
The canonical SMILES for 4-chloro-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one is Cn1[nH]c(=O)c(Cl)c1C(F)(F)F.
What is the InChIKey of 4-chloro-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one?
The InChIKey is JNMGOISNDBCDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF3N2O/c1-11-3(5(7,8)9)2(6)4(12)10-11/h1H3,(H,10,12).
What are the key properties of 4-chloro-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one?
4-chloro-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one has a molecular weight of 200.55 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one is sourced from PubChem (CID 10943520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).