cyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol

C18H23FN2O — CID 66777264

IUPACcyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol
SMILESCc1cc(F)ccc1-n1cc(C(O)C2CCCCC2)c(C)n1
InChIInChI=1S/C18H23FN2O/c1-12-10-15(19)8-9-17(12)21-11-16(13(2)20-21)18(22)14-6-4-3-5-7-14/h8-11,14,18,22H,3-7H2,1-2H3
InChIKeyNXNMFDUBCHEFEZ-UHFFFAOYSA-N
MW302.39 g/mol
LogP4.24
Rot. Bonds3

About cyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol

cyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol (PubChem CID 66777264) has the molecular formula C18H23FN2O and a molecular weight of 302.39 g/mol. Its IUPAC name is cyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol.

Molecular Properties

Compound Namecyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol
PubChem CID66777264
Molecular FormulaC18H23FN2O
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC Namecyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol
SMILESCc1cc(F)ccc1-n1cc(C(O)C2CCCCC2)c(C)n1
InChIInChI=1S/C18H23FN2O/c1-12-10-15(19)8-9-17(12)21-11-16(13(2)20-21)18(22)14-6-4-3-5-7-14/h8-11,14,18,22H,3-7H2,1-2H3
InChIKeyNXNMFDUBCHEFEZ-UHFFFAOYSA-N
XLogP4.24
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol?
The IUPAC name of cyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol (CID 66777264) is cyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol.
What is the SMILES notation for cyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol?
The canonical SMILES for cyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol is Cc1cc(F)ccc1-n1cc(C(O)C2CCCCC2)c(C)n1.
What is the InChIKey of cyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol?
The InChIKey is NXNMFDUBCHEFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O/c1-12-10-15(19)8-9-17(12)21-11-16(13(2)20-21)18(22)14-6-4-3-5-7-14/h8-11,14,18,22H,3-7H2,1-2H3.
What are the key properties of cyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol?
cyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol has a molecular weight of 302.39 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol is sourced from PubChem (CID 66777264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).