(4-cyclohexyl-3,5-diphenylpyrazol-1-yl) formate

C22H22N2O2 — CID 175303389

IUPAC(4-cyclohexyl-3,5-diphenylpyrazol-1-yl) formate
SMILESO=COn1nc(-c2ccccc2)c(C2CCCCC2)c1-c1ccccc1
InChIInChI=1S/C22H22N2O2/c25-16-26-24-22(19-14-8-3-9-15-19)20(17-10-4-1-5-11-17)21(23-24)18-12-6-2-7-13-18/h2-3,6-9,12-17H,1,4-5,10-11H2
InChIKeyASXMDQIWSQXZTN-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.85
Rot. Bonds5

About (4-cyclohexyl-3,5-diphenylpyrazol-1-yl) formate

(4-cyclohexyl-3,5-diphenylpyrazol-1-yl) formate (PubChem CID 175303389) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is (4-cyclohexyl-3,5-diphenylpyrazol-1-yl) formate.

Molecular Properties

Compound Name(4-cyclohexyl-3,5-diphenylpyrazol-1-yl) formate
PubChem CID175303389
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name(4-cyclohexyl-3,5-diphenylpyrazol-1-yl) formate
SMILESO=COn1nc(-c2ccccc2)c(C2CCCCC2)c1-c1ccccc1
InChIInChI=1S/C22H22N2O2/c25-16-26-24-22(19-14-8-3-9-15-19)20(17-10-4-1-5-11-17)21(23-24)18-12-6-2-7-13-18/h2-3,6-9,12-17H,1,4-5,10-11H2
InChIKeyASXMDQIWSQXZTN-UHFFFAOYSA-N
XLogP4.85
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexyl-3,5-diphenylpyrazol-1-yl) formate?
The IUPAC name of (4-cyclohexyl-3,5-diphenylpyrazol-1-yl) formate (CID 175303389) is (4-cyclohexyl-3,5-diphenylpyrazol-1-yl) formate.
What is the SMILES notation for (4-cyclohexyl-3,5-diphenylpyrazol-1-yl) formate?
The canonical SMILES for (4-cyclohexyl-3,5-diphenylpyrazol-1-yl) formate is O=COn1nc(-c2ccccc2)c(C2CCCCC2)c1-c1ccccc1.
What is the InChIKey of (4-cyclohexyl-3,5-diphenylpyrazol-1-yl) formate?
The InChIKey is ASXMDQIWSQXZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c25-16-26-24-22(19-14-8-3-9-15-19)20(17-10-4-1-5-11-17)21(23-24)18-12-6-2-7-13-18/h2-3,6-9,12-17H,1,4-5,10-11H2.
What are the key properties of (4-cyclohexyl-3,5-diphenylpyrazol-1-yl) formate?
(4-cyclohexyl-3,5-diphenylpyrazol-1-yl) formate has a molecular weight of 346.43 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexyl-3,5-diphenylpyrazol-1-yl) formate is sourced from PubChem (CID 175303389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).