3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol

C14H24N2O — CID 103006277

IUPAC3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
SMILESCCC1CCCC(O)(CCc2ccnn2C)C1
InChIInChI=1S/C14H24N2O/c1-3-12-5-4-8-14(17,11-12)9-6-13-7-10-15-16(13)2/h7,10,12,17H,3-6,8-9,11H2,1-2H3
InChIKeyPQOCGSAVNQDKAP-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.68
Rot. Bonds4

About 3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol

3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol (PubChem CID 103006277) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
PubChem CID103006277
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
SMILESCCC1CCCC(O)(CCc2ccnn2C)C1
InChIInChI=1S/C14H24N2O/c1-3-12-5-4-8-14(17,11-12)9-6-13-7-10-15-16(13)2/h7,10,12,17H,3-6,8-9,11H2,1-2H3
InChIKeyPQOCGSAVNQDKAP-UHFFFAOYSA-N
XLogP2.68
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol?
The IUPAC name of 3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol (CID 103006277) is 3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol is CCC1CCCC(O)(CCc2ccnn2C)C1.
What is the InChIKey of 3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol?
The InChIKey is PQOCGSAVNQDKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-12-5-4-8-14(17,11-12)9-6-13-7-10-15-16(13)2/h7,10,12,17H,3-6,8-9,11H2,1-2H3.
What are the key properties of 3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol?
3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 103006277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).