[6-(1-cyclohexylpyrazol-4-yl)naphthalen-2-yl]methanol

C20H22N2O — CID 172868823

IUPAC[6-(1-cyclohexylpyrazol-4-yl)naphthalen-2-yl]methanol
SMILESOCc1ccc2cc(-c3cnn(C4CCCCC4)c3)ccc2c1
InChIInChI=1S/C20H22N2O/c23-14-15-6-7-17-11-18(9-8-16(17)10-15)19-12-21-22(13-19)20-4-2-1-3-5-20/h6-13,20,23H,1-5,14H2
InChIKeyOQBNGUBURGDVAH-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.70
Rot. Bonds3

About [6-(1-cyclohexylpyrazol-4-yl)naphthalen-2-yl]methanol

[6-(1-cyclohexylpyrazol-4-yl)naphthalen-2-yl]methanol (PubChem CID 172868823) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is [6-(1-cyclohexylpyrazol-4-yl)naphthalen-2-yl]methanol.

Molecular Properties

Compound Name[6-(1-cyclohexylpyrazol-4-yl)naphthalen-2-yl]methanol
PubChem CID172868823
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name[6-(1-cyclohexylpyrazol-4-yl)naphthalen-2-yl]methanol
SMILESOCc1ccc2cc(-c3cnn(C4CCCCC4)c3)ccc2c1
InChIInChI=1S/C20H22N2O/c23-14-15-6-7-17-11-18(9-8-16(17)10-15)19-12-21-22(13-19)20-4-2-1-3-5-20/h6-13,20,23H,1-5,14H2
InChIKeyOQBNGUBURGDVAH-UHFFFAOYSA-N
XLogP4.70
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-cyclohexylpyrazol-4-yl)-2,6-dimethylphenol
CID 171921837
1-cyclopentyl-4-(3-iodophenyl)pyrazole
CID 79788089
2-[4-chloro-3-(1-cyclohexylpyrazol-4-yl)phenyl]acetic acid
CID 170835961
6-(1-cyclopropylpyrazol-4-yl)-N-methylisoquinolin-3-amine
CID 145392399
1-cycloheptylpyrazol-4-ol
CID 116799473
2-[3-(1-cyclohexylpyrazol-4-yl)-4-fluorophenyl]acetonitrile
CID 175670119
1-[4-[4-[4-(2-hydroxyethyl)phenyl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 166637826
5-(1-cyclobutylpyrazol-4-yl)pyridin-2-amine
CID 162343137
1-[6-(1-cyclopropylpyrazol-4-yl)naphthalen-2-yl]oxy-3-morpholin-4-ylpropan-2-ol
CID 176503307
2-[4-[1-(1-cyclopropylsulfonylpiperidin-4-yl)pyrazol-4-yl]phenyl]ethanol
CID 166637833
5-(1-cyclohexylpyrazol-4-yl)-2-[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]pyrimidine
CID 144886075
2-(1-cycloheptylpyrazol-4-yl)aniline
CID 82927063

Frequently Asked Questions

What is the IUPAC name of [6-(1-cyclohexylpyrazol-4-yl)naphthalen-2-yl]methanol?
The IUPAC name of [6-(1-cyclohexylpyrazol-4-yl)naphthalen-2-yl]methanol (CID 172868823) is [6-(1-cyclohexylpyrazol-4-yl)naphthalen-2-yl]methanol.
What is the SMILES notation for [6-(1-cyclohexylpyrazol-4-yl)naphthalen-2-yl]methanol?
The canonical SMILES for [6-(1-cyclohexylpyrazol-4-yl)naphthalen-2-yl]methanol is OCc1ccc2cc(-c3cnn(C4CCCCC4)c3)ccc2c1.
What is the InChIKey of [6-(1-cyclohexylpyrazol-4-yl)naphthalen-2-yl]methanol?
The InChIKey is OQBNGUBURGDVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c23-14-15-6-7-17-11-18(9-8-16(17)10-15)19-12-21-22(13-19)20-4-2-1-3-5-20/h6-13,20,23H,1-5,14H2.
What are the key properties of [6-(1-cyclohexylpyrazol-4-yl)naphthalen-2-yl]methanol?
[6-(1-cyclohexylpyrazol-4-yl)naphthalen-2-yl]methanol has a molecular weight of 306.41 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-cyclohexylpyrazol-4-yl)naphthalen-2-yl]methanol is sourced from PubChem (CID 172868823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).