1-(2-methylpyrazol-3-yl)-4-propan-2-ylcyclohexan-1-ol

C13H22N2O — CID 63963901

IUPAC1-(2-methylpyrazol-3-yl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)(c2ccnn2C)CC1
InChIInChI=1S/C13H22N2O/c1-10(2)11-4-7-13(16,8-5-11)12-6-9-14-15(12)3/h6,9-11,16H,4-5,7-8H2,1-3H3
InChIKeyGBLMWUHRUGQLFZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.45
Rot. Bonds2

About 1-(2-methylpyrazol-3-yl)-4-propan-2-ylcyclohexan-1-ol

1-(2-methylpyrazol-3-yl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 63963901) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID63963901
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(2-methylpyrazol-3-yl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)(c2ccnn2C)CC1
InChIInChI=1S/C13H22N2O/c1-10(2)11-4-7-13(16,8-5-11)12-6-9-14-15(12)3/h6,9-11,16H,4-5,7-8H2,1-3H3
InChIKeyGBLMWUHRUGQLFZ-UHFFFAOYSA-N
XLogP2.45
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-4-propan-2-ylcyclohexan-1-ol (CID 63963901) is 1-(2-methylpyrazol-3-yl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)(c2ccnn2C)CC1.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is GBLMWUHRUGQLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(2)11-4-7-13(16,8-5-11)12-6-9-14-15(12)3/h6,9-11,16H,4-5,7-8H2,1-3H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)-4-propan-2-ylcyclohexan-1-ol?
1-(2-methylpyrazol-3-yl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 63963901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).