4-ethyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol

C12H20N2O — CID 63961140

IUPAC4-ethyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol
SMILESCCC1CCC(O)(c2ccnn2C)CC1
InChIInChI=1S/C12H20N2O/c1-3-10-4-7-12(15,8-5-10)11-6-9-13-14(11)2/h6,9-10,15H,3-5,7-8H2,1-2H3
InChIKeyMKJCBLSGRZPZBV-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.21
Rot. Bonds2

About 4-ethyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol

4-ethyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol (PubChem CID 63961140) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-ethyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol
PubChem CID63961140
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name4-ethyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol
SMILESCCC1CCC(O)(c2ccnn2C)CC1
InChIInChI=1S/C12H20N2O/c1-3-10-4-7-12(15,8-5-10)11-6-9-13-14(11)2/h6,9-10,15H,3-5,7-8H2,1-2H3
InChIKeyMKJCBLSGRZPZBV-UHFFFAOYSA-N
XLogP2.21
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol (CID 63961140) is 4-ethyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol is CCC1CCC(O)(c2ccnn2C)CC1.
What is the InChIKey of 4-ethyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol?
The InChIKey is MKJCBLSGRZPZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-10-4-7-12(15,8-5-10)11-6-9-13-14(11)2/h6,9-10,15H,3-5,7-8H2,1-2H3.
What are the key properties of 4-ethyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol?
4-ethyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol is sourced from PubChem (CID 63961140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).