ethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate

C13H20N2O2 — CID 146167576

IUPACethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C)nc1C1CCCCC1
InChIInChI=1S/C13H20N2O2/c1-3-17-13(16)11-9-15(2)14-12(11)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3
InChIKeyAEJVRXSBGLNJOW-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.64
Rot. Bonds3

About ethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate

ethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate (PubChem CID 146167576) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate
PubChem CID146167576
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nameethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C)nc1C1CCCCC1
InChIInChI=1S/C13H20N2O2/c1-3-17-13(16)11-9-15(2)14-12(11)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3
InChIKeyAEJVRXSBGLNJOW-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate (CID 146167576) is ethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cn(C)nc1C1CCCCC1.
What is the InChIKey of ethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate?
The InChIKey is AEJVRXSBGLNJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-17-13(16)11-9-15(2)14-12(11)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of ethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate?
ethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate has a molecular weight of 236.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 146167576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).