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

C13H22N2O — CID 62709224

IUPAC2-(4-methylpyrazol-1-yl)-4-propan-2-ylcyclohexan-1-ol
SMILESCc1cnn(C2CC(C(C)C)CCC2O)c1
InChIInChI=1S/C13H22N2O/c1-9(2)11-4-5-13(16)12(6-11)15-8-10(3)7-14-15/h7-9,11-13,16H,4-6H2,1-3H3
InChIKeyLSSWOVNXHRFXCU-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.55
Rot. Bonds2

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

2-(4-methylpyrazol-1-yl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 62709224) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID62709224
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-(4-methylpyrazol-1-yl)-4-propan-2-ylcyclohexan-1-ol
SMILESCc1cnn(C2CC(C(C)C)CCC2O)c1
InChIInChI=1S/C13H22N2O/c1-9(2)11-4-5-13(16)12(6-11)15-8-10(3)7-14-15/h7-9,11-13,16H,4-6H2,1-3H3
InChIKeyLSSWOVNXHRFXCU-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-(4-methylpyrazol-1-yl)-4-propan-2-ylcyclohexan-1-ol (CID 62709224) is 2-(4-methylpyrazol-1-yl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)-4-propan-2-ylcyclohexan-1-ol is Cc1cnn(C2CC(C(C)C)CCC2O)c1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is LSSWOVNXHRFXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)11-4-5-13(16)12(6-11)15-8-10(3)7-14-15/h7-9,11-13,16H,4-6H2,1-3H3.
What are the key properties of 2-(4-methylpyrazol-1-yl)-4-propan-2-ylcyclohexan-1-ol?
2-(4-methylpyrazol-1-yl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 62709224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).