4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimethylaniline

C23H23N3 — CID 2729182

IUPAC4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2CC(c3ccccc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C23H23N3/c1-25(2)20-15-13-19(14-16-20)23-17-22(18-9-5-3-6-10-18)24-26(23)21-11-7-4-8-12-21/h3-16,23H,17H2,1-2H3
InChIKeyIBLISPOQVZVSMS-UHFFFAOYSA-N
MW341.46 g/mol
LogP5.11
Rot. Bonds4

About 4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimethylaniline

4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimethylaniline (PubChem CID 2729182) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimethylaniline
PubChem CID2729182
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC Name4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2CC(c3ccccc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C23H23N3/c1-25(2)20-15-13-19(14-16-20)23-17-22(18-9-5-3-6-10-18)24-26(23)21-11-7-4-8-12-21/h3-16,23H,17H2,1-2H3
InChIKeyIBLISPOQVZVSMS-UHFFFAOYSA-N
XLogP5.11
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.46
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimethylaniline (CID 2729182) is 4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimethylaniline is CN(C)c1ccc(C2CC(c3ccccc3)=NN2c2ccccc2)cc1.
What is the InChIKey of 4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimethylaniline?
The InChIKey is IBLISPOQVZVSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3/c1-25(2)20-15-13-19(14-16-20)23-17-22(18-9-5-3-6-10-18)24-26(23)21-11-7-4-8-12-21/h3-16,23H,17H2,1-2H3.
What are the key properties of 4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimethylaniline?
4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimethylaniline has a molecular weight of 341.46 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimethylaniline is sourced from PubChem (CID 2729182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).