ethyl 3-(2-cyclohexyl-5-oxo-1H-pyrazol-3-yl)propanoate

C14H22N2O3 — CID 69316383

IUPACethyl 3-(2-cyclohexyl-5-oxo-1H-pyrazol-3-yl)propanoate
SMILESCCOC(=O)CCc1cc(=O)[nH]n1C1CCCCC1
InChIInChI=1S/C14H22N2O3/c1-2-19-14(18)9-8-12-10-13(17)15-16(12)11-6-4-3-5-7-11/h10-11H,2-9H2,1H3,(H,15,17)
InChIKeyCRDWPFYUJGAOJP-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.18
Rot. Bonds5

About ethyl 3-(2-cyclohexyl-5-oxo-1H-pyrazol-3-yl)propanoate

ethyl 3-(2-cyclohexyl-5-oxo-1H-pyrazol-3-yl)propanoate (PubChem CID 69316383) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 3-(2-cyclohexyl-5-oxo-1H-pyrazol-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-cyclohexyl-5-oxo-1H-pyrazol-3-yl)propanoate
PubChem CID69316383
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nameethyl 3-(2-cyclohexyl-5-oxo-1H-pyrazol-3-yl)propanoate
SMILESCCOC(=O)CCc1cc(=O)[nH]n1C1CCCCC1
InChIInChI=1S/C14H22N2O3/c1-2-19-14(18)9-8-12-10-13(17)15-16(12)11-6-4-3-5-7-11/h10-11H,2-9H2,1H3,(H,15,17)
InChIKeyCRDWPFYUJGAOJP-UHFFFAOYSA-N
XLogP2.18
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(2-cyclohexyl-5-oxo-1H-pyrazol-3-yl)propanoate 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-(3-hydroxy-1-isopropyl-1H-pyrazol-5-yl)propanoate
CID 57438551
ethyl 3-(3-hydroxy-1-methyl-1H-pyrazol-5-yl)propanoate
CID 69314484
ethyl 3-(1-ethyl-3-hydroxy-1H-pyrazol-5-yl)propanoate
CID 69318719
ethyl 3-(3-hydroxy-1-isobutyl-1H-pyrazol-5-yl)propanoate
CID 69318904
ethyl 3-(3-oxo-2-propan-2-yl-1H-pyrazol-5-yl)propanoate
CID 91430168
Ethyl 2-(2-cyclohexyl-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetate
CID 125092662

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-cyclohexyl-5-oxo-1H-pyrazol-3-yl)propanoate?
The IUPAC name of ethyl 3-(2-cyclohexyl-5-oxo-1H-pyrazol-3-yl)propanoate (CID 69316383) is ethyl 3-(2-cyclohexyl-5-oxo-1H-pyrazol-3-yl)propanoate.
What is the SMILES notation for ethyl 3-(2-cyclohexyl-5-oxo-1H-pyrazol-3-yl)propanoate?
The canonical SMILES for ethyl 3-(2-cyclohexyl-5-oxo-1H-pyrazol-3-yl)propanoate is CCOC(=O)CCc1cc(=O)[nH]n1C1CCCCC1.
What is the InChIKey of ethyl 3-(2-cyclohexyl-5-oxo-1H-pyrazol-3-yl)propanoate?
The InChIKey is CRDWPFYUJGAOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-19-14(18)9-8-12-10-13(17)15-16(12)11-6-4-3-5-7-11/h10-11H,2-9H2,1H3,(H,15,17).
What are the key properties of ethyl 3-(2-cyclohexyl-5-oxo-1H-pyrazol-3-yl)propanoate?
ethyl 3-(2-cyclohexyl-5-oxo-1H-pyrazol-3-yl)propanoate has a molecular weight of 266.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-cyclohexyl-5-oxo-1H-pyrazol-3-yl)propanoate is sourced from PubChem (CID 69316383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).