ethyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate

C13H20N2O2 — CID 58861401

IUPACethyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C2CCCCC2)c1C
InChIInChI=1S/C13H20N2O2/c1-3-17-13(16)12-9-14-15(10(12)2)11-7-5-4-6-8-11/h9,11H,3-8H2,1-2H3
InChIKeyCBXCDBRHEBWICC-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.87
Rot. Bonds3

About ethyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate

ethyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate (PubChem CID 58861401) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate
PubChem CID58861401
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nameethyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C2CCCCC2)c1C
InChIInChI=1S/C13H20N2O2/c1-3-17-13(16)12-9-14-15(10(12)2)11-7-5-4-6-8-11/h9,11H,3-8H2,1-2H3
InChIKeyCBXCDBRHEBWICC-UHFFFAOYSA-N
XLogP2.87
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-cyclopropyl-5-methylpyrazole-4-carboxylate
CID 58861331
ethyl 5-arsanyl-1-cyclohexylpyrazole-4-carboxylate
CID 173179527
butyl 1-(4-ethoxycarbonylcyclohexyl)-5-methylpyrazole-4-carboxylate
CID 118398966
ethyl 1-(2-hydroxycyclohexyl)-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 63234906
ethyl 5-amino-1-piperidin-4-ylpyrazole-4-carboxylate;dihydrochloride
CID 54593650
ethyl 1-cyclohexyl-2,5-dimethylpyrrole-3-carboxylate
CID 90379200
(7-methoxy-2-oxochromen-4-yl)methyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate
CID 167898326
benzyl 1-(4-acetyl-4-methylcyclohexyl)-5-methylpyrazole-4-carboxylate
CID 118392135
2-(1-cyclopentyl-5-methylpyrazol-4-yl)acetic acid
CID 83883737
1-cycloheptyl-5-propylpyrazole-4-carboxylic acid
CID 61272610
2-[1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)azetidin-3-yl]acetonitrile
CID 146107759
1-cyclopentyl-N-(1-cyclopentylethyl)-5-methylpyrazole-4-carboxamide
CID 126786160

Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate (CID 58861401) is ethyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C2CCCCC2)c1C.
What is the InChIKey of ethyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate?
The InChIKey is CBXCDBRHEBWICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-17-13(16)12-9-14-15(10(12)2)11-7-5-4-6-8-11/h9,11H,3-8H2,1-2H3.
What are the key properties of ethyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate?
ethyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate has a molecular weight of 236.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate is sourced from PubChem (CID 58861401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).