[1-(4-propan-2-ylpyrazol-1-yl)cyclohexyl]methanol

C13H22N2O — CID 70846477

IUPAC[1-(4-propan-2-ylpyrazol-1-yl)cyclohexyl]methanol
SMILESCC(C)c1cnn(C2(CO)CCCCC2)c1
InChIInChI=1S/C13H22N2O/c1-11(2)12-8-14-15(9-12)13(10-16)6-4-3-5-7-13/h8-9,11,16H,3-7,10H2,1-2H3
InChIKeyGONIMLJUTPKEFV-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.66
Rot. Bonds3

About [1-(4-propan-2-ylpyrazol-1-yl)cyclohexyl]methanol

[1-(4-propan-2-ylpyrazol-1-yl)cyclohexyl]methanol (PubChem CID 70846477) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is [1-(4-propan-2-ylpyrazol-1-yl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(4-propan-2-ylpyrazol-1-yl)cyclohexyl]methanol
PubChem CID70846477
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name[1-(4-propan-2-ylpyrazol-1-yl)cyclohexyl]methanol
SMILESCC(C)c1cnn(C2(CO)CCCCC2)c1
InChIInChI=1S/C13H22N2O/c1-11(2)12-8-14-15(9-12)13(10-16)6-4-3-5-7-13/h8-9,11,16H,3-7,10H2,1-2H3
InChIKeyGONIMLJUTPKEFV-UHFFFAOYSA-N
XLogP2.66
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-propan-2-ylpyrazol-1-yl)cyclohexyl]methanol?
The IUPAC name of [1-(4-propan-2-ylpyrazol-1-yl)cyclohexyl]methanol (CID 70846477) is [1-(4-propan-2-ylpyrazol-1-yl)cyclohexyl]methanol.
What is the SMILES notation for [1-(4-propan-2-ylpyrazol-1-yl)cyclohexyl]methanol?
The canonical SMILES for [1-(4-propan-2-ylpyrazol-1-yl)cyclohexyl]methanol is CC(C)c1cnn(C2(CO)CCCCC2)c1.
What is the InChIKey of [1-(4-propan-2-ylpyrazol-1-yl)cyclohexyl]methanol?
The InChIKey is GONIMLJUTPKEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(2)12-8-14-15(9-12)13(10-16)6-4-3-5-7-13/h8-9,11,16H,3-7,10H2,1-2H3.
What are the key properties of [1-(4-propan-2-ylpyrazol-1-yl)cyclohexyl]methanol?
[1-(4-propan-2-ylpyrazol-1-yl)cyclohexyl]methanol has a molecular weight of 222.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-propan-2-ylpyrazol-1-yl)cyclohexyl]methanol is sourced from PubChem (CID 70846477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).