cyclohexyl-(1-phenylpyrazol-4-yl)methanol

C16H20N2O — CID 61088953

IUPACcyclohexyl-(1-phenylpyrazol-4-yl)methanol
SMILESOC(c1cnn(-c2ccccc2)c1)C1CCCCC1
InChIInChI=1S/C16H20N2O/c19-16(13-7-3-1-4-8-13)14-11-17-18(12-14)15-9-5-2-6-10-15/h2,5-6,9-13,16,19H,1,3-4,7-8H2
InChIKeyJYHQSYBXELXLNY-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.49
Rot. Bonds3

About cyclohexyl-(1-phenylpyrazol-4-yl)methanol

cyclohexyl-(1-phenylpyrazol-4-yl)methanol (PubChem CID 61088953) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is cyclohexyl-(1-phenylpyrazol-4-yl)methanol.

Molecular Properties

Compound Namecyclohexyl-(1-phenylpyrazol-4-yl)methanol
PubChem CID61088953
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Namecyclohexyl-(1-phenylpyrazol-4-yl)methanol
SMILESOC(c1cnn(-c2ccccc2)c1)C1CCCCC1
InChIInChI=1S/C16H20N2O/c19-16(13-7-3-1-4-8-13)14-11-17-18(12-14)15-9-5-2-6-10-15/h2,5-6,9-13,16,19H,1,3-4,7-8H2
InChIKeyJYHQSYBXELXLNY-UHFFFAOYSA-N
XLogP3.49
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-phenylpyrazol-4-yl)-piperidin-4-ylmethanol
CID 43328996
[cyclohexyl-(1-phenylpyrazol-4-yl)methyl]hydrazine
CID 105282022
4-[bromo(cyclobutyl)methyl]-1-phenylpyrazole
CID 61096953
2-cycloheptyl-1-(1-phenylpyrazol-4-yl)ethanamine
CID 114457498
(2,2-dimethylcyclopentyl)-(1-phenylpyrazol-4-yl)methanol
CID 107181622
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
(1S)-1-cyclopentyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]ethanamine
CID 81473468
4-(1-chloro-2-cyclopentylethyl)-1-phenylpyrazole
CID 63433194
1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486034
2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanol
CID 65150583
4-[bromo(cyclopropyl)methyl]-1-phenylpyrazole
CID 61095952
(R)-cycloheptyl(phenyl)methanol
CID 94502427

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(1-phenylpyrazol-4-yl)methanol?
The IUPAC name of cyclohexyl-(1-phenylpyrazol-4-yl)methanol (CID 61088953) is cyclohexyl-(1-phenylpyrazol-4-yl)methanol.
What is the SMILES notation for cyclohexyl-(1-phenylpyrazol-4-yl)methanol?
The canonical SMILES for cyclohexyl-(1-phenylpyrazol-4-yl)methanol is OC(c1cnn(-c2ccccc2)c1)C1CCCCC1.
What is the InChIKey of cyclohexyl-(1-phenylpyrazol-4-yl)methanol?
The InChIKey is JYHQSYBXELXLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c19-16(13-7-3-1-4-8-13)14-11-17-18(12-14)15-9-5-2-6-10-15/h2,5-6,9-13,16,19H,1,3-4,7-8H2.
What are the key properties of cyclohexyl-(1-phenylpyrazol-4-yl)methanol?
cyclohexyl-(1-phenylpyrazol-4-yl)methanol has a molecular weight of 256.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(1-phenylpyrazol-4-yl)methanol is sourced from PubChem (CID 61088953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).