3-methyl-1-(2-propylpyrazol-3-yl)cyclohexan-1-ol

C13H22N2O — CID 63976508

IUPAC3-methyl-1-(2-propylpyrazol-3-yl)cyclohexan-1-ol
SMILESCCCn1nccc1C1(O)CCCC(C)C1
InChIInChI=1S/C13H22N2O/c1-3-9-15-12(6-8-14-15)13(16)7-4-5-11(2)10-13/h6,8,11,16H,3-5,7,9-10H2,1-2H3
InChIKeyFCXXBPKLXNFBCK-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.69
Rot. Bonds3

About 3-methyl-1-(2-propylpyrazol-3-yl)cyclohexan-1-ol

3-methyl-1-(2-propylpyrazol-3-yl)cyclohexan-1-ol (PubChem CID 63976508) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-methyl-1-(2-propylpyrazol-3-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-(2-propylpyrazol-3-yl)cyclohexan-1-ol
PubChem CID63976508
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-methyl-1-(2-propylpyrazol-3-yl)cyclohexan-1-ol
SMILESCCCn1nccc1C1(O)CCCC(C)C1
InChIInChI=1S/C13H22N2O/c1-3-9-15-12(6-8-14-15)13(16)7-4-5-11(2)10-13/h6,8,11,16H,3-5,7,9-10H2,1-2H3
InChIKeyFCXXBPKLXNFBCK-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-propylpyrazol-3-yl)cyclohexan-1-ol?
The IUPAC name of 3-methyl-1-(2-propylpyrazol-3-yl)cyclohexan-1-ol (CID 63976508) is 3-methyl-1-(2-propylpyrazol-3-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-(2-propylpyrazol-3-yl)cyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-(2-propylpyrazol-3-yl)cyclohexan-1-ol is CCCn1nccc1C1(O)CCCC(C)C1.
What is the InChIKey of 3-methyl-1-(2-propylpyrazol-3-yl)cyclohexan-1-ol?
The InChIKey is FCXXBPKLXNFBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-9-15-12(6-8-14-15)13(16)7-4-5-11(2)10-13/h6,8,11,16H,3-5,7,9-10H2,1-2H3.
What are the key properties of 3-methyl-1-(2-propylpyrazol-3-yl)cyclohexan-1-ol?
3-methyl-1-(2-propylpyrazol-3-yl)cyclohexan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-propylpyrazol-3-yl)cyclohexan-1-ol is sourced from PubChem (CID 63976508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).