1-(4-chlorophenyl)-4-methyl-4-phenyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol

C20H20ClN3O — CID 70482524

IUPAC1-(4-chlorophenyl)-4-methyl-4-phenyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
SMILESCC(C)(c1ccccc1)C(O)C(=Cc1ccc(Cl)cc1)n1cncn1
InChIInChI=1S/C20H20ClN3O/c1-20(2,16-6-4-3-5-7-16)19(25)18(24-14-22-13-23-24)12-15-8-10-17(21)11-9-15/h3-14,19,25H,1-2H3
InChIKeyPFGATWNNMXVSES-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.27
Rot. Bonds5

About 1-(4-chlorophenyl)-4-methyl-4-phenyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol

1-(4-chlorophenyl)-4-methyl-4-phenyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol (PubChem CID 70482524) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-methyl-4-phenyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-methyl-4-phenyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
PubChem CID70482524
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name1-(4-chlorophenyl)-4-methyl-4-phenyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
SMILESCC(C)(c1ccccc1)C(O)C(=Cc1ccc(Cl)cc1)n1cncn1
InChIInChI=1S/C20H20ClN3O/c1-20(2,16-6-4-3-5-7-16)19(25)18(24-14-22-13-23-24)12-15-8-10-17(21)11-9-15/h3-14,19,25H,1-2H3
InChIKeyPFGATWNNMXVSES-UHFFFAOYSA-N
XLogP4.27
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-4-methyl-4-phenyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol 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-(4-chlorophenyl)-4-methyl-4-phenyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol?
The IUPAC name of 1-(4-chlorophenyl)-4-methyl-4-phenyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol (CID 70482524) is 1-(4-chlorophenyl)-4-methyl-4-phenyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-4-methyl-4-phenyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol?
The canonical SMILES for 1-(4-chlorophenyl)-4-methyl-4-phenyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol is CC(C)(c1ccccc1)C(O)C(=Cc1ccc(Cl)cc1)n1cncn1.
What is the InChIKey of 1-(4-chlorophenyl)-4-methyl-4-phenyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol?
The InChIKey is PFGATWNNMXVSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-20(2,16-6-4-3-5-7-16)19(25)18(24-14-22-13-23-24)12-15-8-10-17(21)11-9-15/h3-14,19,25H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-4-methyl-4-phenyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol?
1-(4-chlorophenyl)-4-methyl-4-phenyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol has a molecular weight of 353.85 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-methyl-4-phenyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol is sourced from PubChem (CID 70482524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).