[4-[1-(cyclohexylmethyl)pyrazol-4-yl]-2-fluoro-5-methylphenyl]methanol

C18H23FN2O — CID 171906146

IUPAC[4-[1-(cyclohexylmethyl)pyrazol-4-yl]-2-fluoro-5-methylphenyl]methanol
SMILESCc1cc(CO)c(F)cc1-c1cnn(CC2CCCCC2)c1
InChIInChI=1S/C18H23FN2O/c1-13-7-15(12-22)18(19)8-17(13)16-9-20-21(11-16)10-14-5-3-2-4-6-14/h7-9,11,14,22H,2-6,10,12H2,1H3
InChIKeyQOGCFLOMYROJEA-UHFFFAOYSA-N
MW302.39 g/mol
LogP4.07
Rot. Bonds4

About [4-[1-(cyclohexylmethyl)pyrazol-4-yl]-2-fluoro-5-methylphenyl]methanol

[4-[1-(cyclohexylmethyl)pyrazol-4-yl]-2-fluoro-5-methylphenyl]methanol (PubChem CID 171906146) has the molecular formula C18H23FN2O and a molecular weight of 302.39 g/mol. Its IUPAC name is [4-[1-(cyclohexylmethyl)pyrazol-4-yl]-2-fluoro-5-methylphenyl]methanol.

Molecular Properties

Compound Name[4-[1-(cyclohexylmethyl)pyrazol-4-yl]-2-fluoro-5-methylphenyl]methanol
PubChem CID171906146
Molecular FormulaC18H23FN2O
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC Name[4-[1-(cyclohexylmethyl)pyrazol-4-yl]-2-fluoro-5-methylphenyl]methanol
SMILESCc1cc(CO)c(F)cc1-c1cnn(CC2CCCCC2)c1
InChIInChI=1S/C18H23FN2O/c1-13-7-15(12-22)18(19)8-17(13)16-9-20-21(11-16)10-14-5-3-2-4-6-14/h7-9,11,14,22H,2-6,10,12H2,1H3
InChIKeyQOGCFLOMYROJEA-UHFFFAOYSA-N
XLogP4.07
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(cyclohexylmethyl)pyrazol-4-yl]-2-fluoro-5-methylphenyl]methanol?
The IUPAC name of [4-[1-(cyclohexylmethyl)pyrazol-4-yl]-2-fluoro-5-methylphenyl]methanol (CID 171906146) is [4-[1-(cyclohexylmethyl)pyrazol-4-yl]-2-fluoro-5-methylphenyl]methanol.
What is the SMILES notation for [4-[1-(cyclohexylmethyl)pyrazol-4-yl]-2-fluoro-5-methylphenyl]methanol?
The canonical SMILES for [4-[1-(cyclohexylmethyl)pyrazol-4-yl]-2-fluoro-5-methylphenyl]methanol is Cc1cc(CO)c(F)cc1-c1cnn(CC2CCCCC2)c1.
What is the InChIKey of [4-[1-(cyclohexylmethyl)pyrazol-4-yl]-2-fluoro-5-methylphenyl]methanol?
The InChIKey is QOGCFLOMYROJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O/c1-13-7-15(12-22)18(19)8-17(13)16-9-20-21(11-16)10-14-5-3-2-4-6-14/h7-9,11,14,22H,2-6,10,12H2,1H3.
What are the key properties of [4-[1-(cyclohexylmethyl)pyrazol-4-yl]-2-fluoro-5-methylphenyl]methanol?
[4-[1-(cyclohexylmethyl)pyrazol-4-yl]-2-fluoro-5-methylphenyl]methanol has a molecular weight of 302.39 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(cyclohexylmethyl)pyrazol-4-yl]-2-fluoro-5-methylphenyl]methanol is sourced from PubChem (CID 171906146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).