5-cyclopropyl-2-(2,5-dimethylphenyl)-1H-pyrazol-3-one

C14H16N2O — CID 66020243

IUPAC5-cyclopropyl-2-(2,5-dimethylphenyl)-1H-pyrazol-3-one
SMILESCc1ccc(C)c(-n2[nH]c(C3CC3)cc2=O)c1
InChIInChI=1S/C14H16N2O/c1-9-3-4-10(2)13(7-9)16-14(17)8-12(15-16)11-5-6-11/h3-4,7-8,11,15H,5-6H2,1-2H3
InChIKeyJFTXKEQSNGPCIQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.66
Rot. Bonds2

About 5-cyclopropyl-2-(2,5-dimethylphenyl)-1H-pyrazol-3-one

5-cyclopropyl-2-(2,5-dimethylphenyl)-1H-pyrazol-3-one (PubChem CID 66020243) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 5-cyclopropyl-2-(2,5-dimethylphenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-cyclopropyl-2-(2,5-dimethylphenyl)-1H-pyrazol-3-one
PubChem CID66020243
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name5-cyclopropyl-2-(2,5-dimethylphenyl)-1H-pyrazol-3-one
SMILESCc1ccc(C)c(-n2[nH]c(C3CC3)cc2=O)c1
InChIInChI=1S/C14H16N2O/c1-9-3-4-10(2)13(7-9)16-14(17)8-12(15-16)11-5-6-11/h3-4,7-8,11,15H,5-6H2,1-2H3
InChIKeyJFTXKEQSNGPCIQ-UHFFFAOYSA-N
XLogP2.66
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-2-(4-methylphenyl)-1H-pyrazol-3-one
CID 66020447
2-(4-bromo-2-methylphenyl)-5-cyclopentyl-1H-pyrazol-3-one
CID 104508615
5-cyclopropyl-2-phenyl-1H-pyrazol-3-one
CID 66022699
2-(2,5-dimethylphenyl)-5-(methoxymethyl)-1H-pyrazol-3-one
CID 66022710
2-(2,5-dimethylphenyl)-4-methyl-1H-pyrazol-3-one
CID 159947269
5-cyclobutyl-2-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 91201028
5-cyclopropyl-2-(2,5-dimethylphenyl)-4H-pyrazol-3-one
CID 63352725
2-(2,5-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazole-4-carbonitrile
CID 165485031
2-(2,5-dimethylphenyl)-3-ethyl-1H-1,2,4-triazol-5-one
CID 115371870
2-(2,5-dimethylphenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 66020242
2-(5-cyclopropyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid
CID 76901427
3-tert-butyl-1-(2,5-dimethylphenyl)piperazine-2,5-dione
CID 64955226

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(2,5-dimethylphenyl)-1H-pyrazol-3-one?
The IUPAC name of 5-cyclopropyl-2-(2,5-dimethylphenyl)-1H-pyrazol-3-one (CID 66020243) is 5-cyclopropyl-2-(2,5-dimethylphenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-cyclopropyl-2-(2,5-dimethylphenyl)-1H-pyrazol-3-one?
The canonical SMILES for 5-cyclopropyl-2-(2,5-dimethylphenyl)-1H-pyrazol-3-one is Cc1ccc(C)c(-n2[nH]c(C3CC3)cc2=O)c1.
What is the InChIKey of 5-cyclopropyl-2-(2,5-dimethylphenyl)-1H-pyrazol-3-one?
The InChIKey is JFTXKEQSNGPCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9-3-4-10(2)13(7-9)16-14(17)8-12(15-16)11-5-6-11/h3-4,7-8,11,15H,5-6H2,1-2H3.
What are the key properties of 5-cyclopropyl-2-(2,5-dimethylphenyl)-1H-pyrazol-3-one?
5-cyclopropyl-2-(2,5-dimethylphenyl)-1H-pyrazol-3-one has a molecular weight of 228.29 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(2,5-dimethylphenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 66020243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).