1-[1-(4-fluorophenyl)-5-(4-methylphenyl)pyrazol-3-yl]cyclohexane-1,4-diol

C22H23FN2O2 — CID 58399334

IUPAC1-[1-(4-fluorophenyl)-5-(4-methylphenyl)pyrazol-3-yl]cyclohexane-1,4-diol
SMILESCc1ccc(-c2cc(C3(O)CCC(O)CC3)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H23FN2O2/c1-15-2-4-16(5-3-15)20-14-21(22(27)12-10-19(26)11-13-22)24-25(20)18-8-6-17(23)7-9-18/h2-9,14,19,26-27H,10-13H2,1H3
InChIKeyUYDKJDVIJAWXJD-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.11
Rot. Bonds3

About 1-[1-(4-fluorophenyl)-5-(4-methylphenyl)pyrazol-3-yl]cyclohexane-1,4-diol

1-[1-(4-fluorophenyl)-5-(4-methylphenyl)pyrazol-3-yl]cyclohexane-1,4-diol (PubChem CID 58399334) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-5-(4-methylphenyl)pyrazol-3-yl]cyclohexane-1,4-diol.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-5-(4-methylphenyl)pyrazol-3-yl]cyclohexane-1,4-diol
PubChem CID58399334
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name1-[1-(4-fluorophenyl)-5-(4-methylphenyl)pyrazol-3-yl]cyclohexane-1,4-diol
SMILESCc1ccc(-c2cc(C3(O)CCC(O)CC3)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H23FN2O2/c1-15-2-4-16(5-3-15)20-14-21(22(27)12-10-19(26)11-13-22)24-25(20)18-8-6-17(23)7-9-18/h2-9,14,19,26-27H,10-13H2,1H3
InChIKeyUYDKJDVIJAWXJD-UHFFFAOYSA-N
XLogP4.11
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-5-(4-methylphenyl)pyrazol-3-yl]cyclohexane-1,4-diol?
The IUPAC name of 1-[1-(4-fluorophenyl)-5-(4-methylphenyl)pyrazol-3-yl]cyclohexane-1,4-diol (CID 58399334) is 1-[1-(4-fluorophenyl)-5-(4-methylphenyl)pyrazol-3-yl]cyclohexane-1,4-diol.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-5-(4-methylphenyl)pyrazol-3-yl]cyclohexane-1,4-diol?
The canonical SMILES for 1-[1-(4-fluorophenyl)-5-(4-methylphenyl)pyrazol-3-yl]cyclohexane-1,4-diol is Cc1ccc(-c2cc(C3(O)CCC(O)CC3)nn2-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-5-(4-methylphenyl)pyrazol-3-yl]cyclohexane-1,4-diol?
The InChIKey is UYDKJDVIJAWXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-15-2-4-16(5-3-15)20-14-21(22(27)12-10-19(26)11-13-22)24-25(20)18-8-6-17(23)7-9-18/h2-9,14,19,26-27H,10-13H2,1H3.
What are the key properties of 1-[1-(4-fluorophenyl)-5-(4-methylphenyl)pyrazol-3-yl]cyclohexane-1,4-diol?
1-[1-(4-fluorophenyl)-5-(4-methylphenyl)pyrazol-3-yl]cyclohexane-1,4-diol has a molecular weight of 366.44 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-5-(4-methylphenyl)pyrazol-3-yl]cyclohexane-1,4-diol is sourced from PubChem (CID 58399334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).