2-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one

C14H13ClN4O — CID 1473355

IUPAC2-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one
SMILESCc1cc(-c2c(C)[nH]n(-c3ccc(Cl)cc3)c2=O)n[nH]1
InChIInChI=1S/C14H13ClN4O/c1-8-7-12(17-16-8)13-9(2)18-19(14(13)20)11-5-3-10(15)4-6-11/h3-7,18H,1-2H3,(H,16,17)
InChIKeyTXWHMWTZYKPLKT-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.83
Rot. Bonds2

About 2-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one

2-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one (PubChem CID 1473355) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one
PubChem CID1473355
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name2-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one
SMILESCc1cc(-c2c(C)[nH]n(-c3ccc(Cl)cc3)c2=O)n[nH]1
InChIInChI=1S/C14H13ClN4O/c1-8-7-12(17-16-8)13-9(2)18-19(14(13)20)11-5-3-10(15)4-6-11/h3-7,18H,1-2H3,(H,16,17)
InChIKeyTXWHMWTZYKPLKT-UHFFFAOYSA-N
XLogP2.83
TPSA66.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one
CID 1483050
6-Chloro-3-(5-methyl-2H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one
CID 135489124
1-(4-Chlorophenyl)-1'-phenyl-3,3'-dimethyl-5-hydroxy[4,5']-bipyrazol
CID 1473334
1,1'-(Diphenyl)-3,3'-dimethyl-5-hydroxy[4,5']pyrazol
CID 1483047
1,1'-(4-Chlorophenyl)-3,3'-dimethyl-5-hydroxy[4,5']-bipyrazol
CID 1473342
N-(3-chloro-4-fluorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 9439146
N-[(3S)-1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 97249996
2-(2-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one
CID 11666225
2-(4-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one
CID 59707150
2-(3-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one
CID 59707153
5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 59707169
5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 59707171

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one?
The IUPAC name of 2-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one (CID 1473355) is 2-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one is Cc1cc(-c2c(C)[nH]n(-c3ccc(Cl)cc3)c2=O)n[nH]1.
What is the InChIKey of 2-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one?
The InChIKey is TXWHMWTZYKPLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-8-7-12(17-16-8)13-9(2)18-19(14(13)20)11-5-3-10(15)4-6-11/h3-7,18H,1-2H3,(H,16,17).
What are the key properties of 2-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one?
2-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one has a molecular weight of 288.74 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 1473355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).