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

C21H21FN2O2 — CID 58399368

IUPAC1-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]cyclohexane-1,4-diol
SMILESOC1CCC(O)(c2cc(-c3ccc(F)cc3)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C21H21FN2O2/c22-16-8-6-15(7-9-16)19-14-20(21(26)12-10-18(25)11-13-21)23-24(19)17-4-2-1-3-5-17/h1-9,14,18,25-26H,10-13H2
InChIKeyCZKQRLMOSVYYHZ-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.80
Rot. Bonds3

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

1-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]cyclohexane-1,4-diol (PubChem CID 58399368) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]cyclohexane-1,4-diol.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]cyclohexane-1,4-diol
PubChem CID58399368
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name1-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]cyclohexane-1,4-diol
SMILESOC1CCC(O)(c2cc(-c3ccc(F)cc3)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C21H21FN2O2/c22-16-8-6-15(7-9-16)19-14-20(21(26)12-10-18(25)11-13-21)23-24(19)17-4-2-1-3-5-17/h1-9,14,18,25-26H,10-13H2
InChIKeyCZKQRLMOSVYYHZ-UHFFFAOYSA-N
XLogP3.80
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]cyclohexane-1,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]cyclohexane-1,4-diol?
The IUPAC name of 1-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]cyclohexane-1,4-diol (CID 58399368) is 1-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]cyclohexane-1,4-diol.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]cyclohexane-1,4-diol?
The canonical SMILES for 1-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]cyclohexane-1,4-diol is OC1CCC(O)(c2cc(-c3ccc(F)cc3)n(-c3ccccc3)n2)CC1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]cyclohexane-1,4-diol?
The InChIKey is CZKQRLMOSVYYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c22-16-8-6-15(7-9-16)19-14-20(21(26)12-10-18(25)11-13-21)23-24(19)17-4-2-1-3-5-17/h1-9,14,18,25-26H,10-13H2.
What are the key properties of 1-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]cyclohexane-1,4-diol?
1-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]cyclohexane-1,4-diol has a molecular weight of 352.41 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]cyclohexane-1,4-diol is sourced from PubChem (CID 58399368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).