5-cyclopropyl-2-(2-ethylphenyl)-4H-pyrazol-3-one

C14H16N2O — CID 68678267

IUPAC5-cyclopropyl-2-(2-ethylphenyl)-4H-pyrazol-3-one
SMILESCCc1ccccc1N1N=C(C2CC2)CC1=O
InChIInChI=1S/C14H16N2O/c1-2-10-5-3-4-6-13(10)16-14(17)9-12(15-16)11-7-8-11/h3-6,11H,2,7-9H2,1H3
InChIKeyMYMJACMTWGJYAE-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.75
Rot. Bonds3

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

5-cyclopropyl-2-(2-ethylphenyl)-4H-pyrazol-3-one (PubChem CID 68678267) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-cyclopropyl-2-(2-ethylphenyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-cyclopropyl-2-(2-ethylphenyl)-4H-pyrazol-3-one
PubChem CID68678267
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name5-cyclopropyl-2-(2-ethylphenyl)-4H-pyrazol-3-one
SMILESCCc1ccccc1N1N=C(C2CC2)CC1=O
InChIInChI=1S/C14H16N2O/c1-2-10-5-3-4-6-13(10)16-14(17)9-12(15-16)11-7-8-11/h3-6,11H,2,7-9H2,1H3
InChIKeyMYMJACMTWGJYAE-UHFFFAOYSA-N
XLogP2.75
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylphenyl)pyrrolidine-2,5-dione
CID 17035334
4-chloro-1-(2-ethylphenyl)pyrrolidin-2-one
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5-tert-butyl-2-(2-chlorophenyl)-4H-pyrazol-3-one
CID 43381500
(1R,2R,6S,7S)-4-(2-ethylphenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 2177191
4-ethyl-1-methyl-3H-indol-2-one
CID 122533875
5-cyclohexyl-2-(3-phenylpropyl)-4H-pyrazol-3-one
CID 86111548
1-(2-ethylphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 19163695
1,2-diethylbenzene;1,4-dimethylcyclohexane
CID 142228373
1-(2-ethylphenyl)-4-methyl-3H-quinoxalin-2-one
CID 117006650
1-(2-ethylphenyl)-3-(propylamino)pyrrolidin-2-one
CID 54973363
1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
CID 43844879
(3S)-1-(2,3-dichlorophenyl)-3-(2-ethylanilino)pyrrolidine-2,5-dione
CID 98188367

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(2-ethylphenyl)-4H-pyrazol-3-one?
The IUPAC name of 5-cyclopropyl-2-(2-ethylphenyl)-4H-pyrazol-3-one (CID 68678267) is 5-cyclopropyl-2-(2-ethylphenyl)-4H-pyrazol-3-one.
What is the SMILES notation for 5-cyclopropyl-2-(2-ethylphenyl)-4H-pyrazol-3-one?
The canonical SMILES for 5-cyclopropyl-2-(2-ethylphenyl)-4H-pyrazol-3-one is CCc1ccccc1N1N=C(C2CC2)CC1=O.
What is the InChIKey of 5-cyclopropyl-2-(2-ethylphenyl)-4H-pyrazol-3-one?
The InChIKey is MYMJACMTWGJYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-10-5-3-4-6-13(10)16-14(17)9-12(15-16)11-7-8-11/h3-6,11H,2,7-9H2,1H3.
What are the key properties of 5-cyclopropyl-2-(2-ethylphenyl)-4H-pyrazol-3-one?
5-cyclopropyl-2-(2-ethylphenyl)-4H-pyrazol-3-one has a molecular weight of 228.30 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(2-ethylphenyl)-4H-pyrazol-3-one is sourced from PubChem (CID 68678267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).