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

C21H20ClFN2O2 — CID 58399398

IUPAC1-[1-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazol-3-yl]cyclohexane-1,4-diol
SMILESOC1CCC(O)(c2cc(-c3ccc(F)cc3)n(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C21H20ClFN2O2/c22-15-3-7-17(8-4-15)25-19(14-1-5-16(23)6-2-14)13-20(24-25)21(27)11-9-18(26)10-12-21/h1-8,13,18,26-27H,9-12H2
InChIKeyZVPZIXKIIRVAEV-UHFFFAOYSA-N
MW386.85 g/mol
LogP4.45
Rot. Bonds3

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

1-[1-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazol-3-yl]cyclohexane-1,4-diol (PubChem CID 58399398) has the molecular formula C21H20ClFN2O2 and a molecular weight of 386.85 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazol-3-yl]cyclohexane-1,4-diol.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazol-3-yl]cyclohexane-1,4-diol
PubChem CID58399398
Molecular FormulaC21H20ClFN2O2
Molecular Weight386.85 g/mol
Exact Mass386.12
IUPAC Name1-[1-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazol-3-yl]cyclohexane-1,4-diol
SMILESOC1CCC(O)(c2cc(-c3ccc(F)cc3)n(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C21H20ClFN2O2/c22-15-3-7-17(8-4-15)25-19(14-1-5-16(23)6-2-14)13-20(24-25)21(27)11-9-18(26)10-12-21/h1-8,13,18,26-27H,9-12H2
InChIKeyZVPZIXKIIRVAEV-UHFFFAOYSA-N
XLogP4.45
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.85
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazol-3-yl]cyclohexane-1,4-diol?
The IUPAC name of 1-[1-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazol-3-yl]cyclohexane-1,4-diol (CID 58399398) is 1-[1-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazol-3-yl]cyclohexane-1,4-diol.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazol-3-yl]cyclohexane-1,4-diol?
The canonical SMILES for 1-[1-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazol-3-yl]cyclohexane-1,4-diol is OC1CCC(O)(c2cc(-c3ccc(F)cc3)n(-c3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazol-3-yl]cyclohexane-1,4-diol?
The InChIKey is ZVPZIXKIIRVAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN2O2/c22-15-3-7-17(8-4-15)25-19(14-1-5-16(23)6-2-14)13-20(24-25)21(27)11-9-18(26)10-12-21/h1-8,13,18,26-27H,9-12H2.
What are the key properties of 1-[1-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazol-3-yl]cyclohexane-1,4-diol?
1-[1-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazol-3-yl]cyclohexane-1,4-diol has a molecular weight of 386.85 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazol-3-yl]cyclohexane-1,4-diol is sourced from PubChem (CID 58399398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).