5-cyclopropyl-2-(2,5-dimethylphenyl)-4H-pyrazol-3-one

C14H16N2O — CID 63352725

IUPAC5-cyclopropyl-2-(2,5-dimethylphenyl)-4H-pyrazol-3-one
SMILESCc1ccc(C)c(N2N=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/h3-4,7,11H,5-6,8H2,1-2H3
InChIKeyYZMCQJIWGQVNAV-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.81
Rot. Bonds2

About 5-cyclopropyl-2-(2,5-dimethylphenyl)-4H-pyrazol-3-one

5-cyclopropyl-2-(2,5-dimethylphenyl)-4H-pyrazol-3-one (PubChem CID 63352725) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-cyclopropyl-2-(2,5-dimethylphenyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-cyclopropyl-2-(2,5-dimethylphenyl)-4H-pyrazol-3-one
PubChem CID63352725
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name5-cyclopropyl-2-(2,5-dimethylphenyl)-4H-pyrazol-3-one
SMILESCc1ccc(C)c(N2N=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/h3-4,7,11H,5-6,8H2,1-2H3
InChIKeyYZMCQJIWGQVNAV-UHFFFAOYSA-N
XLogP2.81
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3H-Pyrazol-3-one, 2,4-dihydro-2,5-diphenyl-
CID 78559
2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one
CID 66591
3-Methyl-1,4-diphenyl-1H-pyrazole-5(4H)-one
CID 11414033
3,4-Dimethyl-1-phenyl-1H-pyrazol-5(4H)-one
CID 86633
2-phenyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3(2H)-one
CID 2877964
1-phenyl-3-propyl-4,5-dihydro-1H-pyrazol-5-one
CID 608697
5-methyl-4-(2-methylpropyl)-2-phenyl-4H-pyrazol-3-one
CID 10149150
2-Phenyl-5-(prop-1-en-2-yl)-2,4-dihydro-3H-pyrazol-3-one
CID 13415382
5-benzyl-2-phenyl-4H-pyrazol-3-one
CID 10514826
3-tert-Butyl-1-phenyl-2-pyrazolin-5-one
CID 245718
2-Phenyl-6-(4-propan-2-ylphenyl)-4,5-dihydropyridazin-3-one
CID 2953145
N-[3-(N-pentanoylethanehydrazonoyl)phenyl]cyclopropanecarboxamide
CID 7308851

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(2,5-dimethylphenyl)-4H-pyrazol-3-one?
The IUPAC name of 5-cyclopropyl-2-(2,5-dimethylphenyl)-4H-pyrazol-3-one (CID 63352725) is 5-cyclopropyl-2-(2,5-dimethylphenyl)-4H-pyrazol-3-one.
What is the SMILES notation for 5-cyclopropyl-2-(2,5-dimethylphenyl)-4H-pyrazol-3-one?
The canonical SMILES for 5-cyclopropyl-2-(2,5-dimethylphenyl)-4H-pyrazol-3-one is Cc1ccc(C)c(N2N=C(C3CC3)CC2=O)c1.
What is the InChIKey of 5-cyclopropyl-2-(2,5-dimethylphenyl)-4H-pyrazol-3-one?
The InChIKey is YZMCQJIWGQVNAV-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/h3-4,7,11H,5-6,8H2,1-2H3.
What are the key properties of 5-cyclopropyl-2-(2,5-dimethylphenyl)-4H-pyrazol-3-one?
5-cyclopropyl-2-(2,5-dimethylphenyl)-4H-pyrazol-3-one has a molecular weight of 228.30 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(2,5-dimethylphenyl)-4H-pyrazol-3-one is sourced from PubChem (CID 63352725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).