ethyl 2-(2-cyclohexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate

C14H22N2O3 — CID 125092662

IUPACethyl 2-(2-cyclohexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate
SMILESCCOC(=O)Cc1c(C)[nH]n(C2CCCCC2)c1=O
InChIInChI=1S/C14H22N2O3/c1-3-19-13(17)9-12-10(2)15-16(14(12)18)11-7-5-4-6-8-11/h11,15H,3-9H2,1-2H3
InChIKeyMLUXOWHNEISMEQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.10
Rot. Bonds4

About ethyl 2-(2-cyclohexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate

ethyl 2-(2-cyclohexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate (PubChem CID 125092662) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2-(2-cyclohexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-cyclohexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate
PubChem CID125092662
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nameethyl 2-(2-cyclohexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate
SMILESCCOC(=O)Cc1c(C)[nH]n(C2CCCCC2)c1=O
InChIInChI=1S/C14H22N2O3/c1-3-19-13(17)9-12-10(2)15-16(14(12)18)11-7-5-4-6-8-11/h11,15H,3-9H2,1-2H3
InChIKeyMLUXOWHNEISMEQ-UHFFFAOYSA-N
XLogP2.10
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(2-cyclohexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate 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

ethyl 3-(1-cyclohexyl-3-hydroxy-1H-pyrazol-5-yl)propanoate
CID 69316383
ethyl 2-(2,5-dimethyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetate
CID 91096612
2-(5-ethyl-3-oxo-2-propan-2-yl-1H-pyrazol-4-yl)acetic acid
CID 84081843
2-(2-cyclopentyl-5-ethyl-3-oxo-1H-pyrazol-4-yl)acetic acid
CID 84081846
2-cyclohexyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one
CID 117123408
2-cyclohexyl-5-ethyl-4-(2-hydroxyethyl)-1H-pyrazol-3-one
CID 117124411
2-cyclohexyl-4-(2-hydroxyethyl)-5-propan-2-yl-1H-pyrazol-3-one
CID 117124413
2-(2-cyclohexyl-5-ethyl-3-oxo-1H-pyrazol-4-yl)acetic acid
CID 117124440
2-(2-cyclohexyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid
CID 117124442
2-(5-tert-butyl-2-cyclohexyl-3-oxo-1H-pyrazol-4-yl)acetic acid
CID 117124444
(1-Ethyl-3-hydroxy-5-methyl-1H-pyrazol-4-yl)-acetic acid ethyl ester
CID 119053560
(3-Hydroxy-5-methyl-1-propyl-1H-pyrazol-4-yl)-acetic acid ethyl ester
CID 119053561

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-cyclohexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate?
The IUPAC name of ethyl 2-(2-cyclohexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate (CID 125092662) is ethyl 2-(2-cyclohexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(2-cyclohexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(2-cyclohexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate is CCOC(=O)Cc1c(C)[nH]n(C2CCCCC2)c1=O.
What is the InChIKey of ethyl 2-(2-cyclohexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate?
The InChIKey is MLUXOWHNEISMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-19-13(17)9-12-10(2)15-16(14(12)18)11-7-5-4-6-8-11/h11,15H,3-9H2,1-2H3.
What are the key properties of ethyl 2-(2-cyclohexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate?
ethyl 2-(2-cyclohexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate has a molecular weight of 266.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-cyclohexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetate is sourced from PubChem (CID 125092662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).