1-(2-ethylpyrazol-3-yl)-2-phenylcyclohexan-1-ol

C17H22N2O — CID 63974813

IUPAC1-(2-ethylpyrazol-3-yl)-2-phenylcyclohexan-1-ol
SMILESCCn1nccc1C1(O)CCCCC1c1ccccc1
InChIInChI=1S/C17H22N2O/c1-2-19-16(11-13-18-19)17(20)12-7-6-10-15(17)14-8-4-3-5-9-14/h3-5,8-9,11,13,15,20H,2,6-7,10,12H2,1H3
InChIKeyNLWPDGLIZXVLAJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.45
Rot. Bonds3

About 1-(2-ethylpyrazol-3-yl)-2-phenylcyclohexan-1-ol

1-(2-ethylpyrazol-3-yl)-2-phenylcyclohexan-1-ol (PubChem CID 63974813) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-2-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-2-phenylcyclohexan-1-ol
PubChem CID63974813
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(2-ethylpyrazol-3-yl)-2-phenylcyclohexan-1-ol
SMILESCCn1nccc1C1(O)CCCCC1c1ccccc1
InChIInChI=1S/C17H22N2O/c1-2-19-16(11-13-18-19)17(20)12-7-6-10-15(17)14-8-4-3-5-9-14/h3-5,8-9,11,13,15,20H,2,6-7,10,12H2,1H3
InChIKeyNLWPDGLIZXVLAJ-UHFFFAOYSA-N
XLogP3.45
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-2-phenylcyclohexan-1-ol?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-2-phenylcyclohexan-1-ol (CID 63974813) is 1-(2-ethylpyrazol-3-yl)-2-phenylcyclohexan-1-ol.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-2-phenylcyclohexan-1-ol?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-2-phenylcyclohexan-1-ol is CCn1nccc1C1(O)CCCCC1c1ccccc1.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-2-phenylcyclohexan-1-ol?
The InChIKey is NLWPDGLIZXVLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-19-16(11-13-18-19)17(20)12-7-6-10-15(17)14-8-4-3-5-9-14/h3-5,8-9,11,13,15,20H,2,6-7,10,12H2,1H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-2-phenylcyclohexan-1-ol?
1-(2-ethylpyrazol-3-yl)-2-phenylcyclohexan-1-ol has a molecular weight of 270.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-2-phenylcyclohexan-1-ol is sourced from PubChem (CID 63974813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).