3,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide

C20H21N3O — CID 2486391

IUPAC3,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NCCc1ccccc1
InChIInChI=1S/C20H21N3O/c1-15-19(16(2)23(22-15)18-11-7-4-8-12-18)20(24)21-14-13-17-9-5-3-6-10-17/h3-12H,13-14H2,1-2H3,(H,21,24)
InChIKeyRYDGLQTWDIMVBP-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.46
Rot. Bonds5

About 3,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide

3,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide (PubChem CID 2486391) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 3,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
PubChem CID2486391
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name3,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NCCc1ccccc1
InChIInChI=1S/C20H21N3O/c1-15-19(16(2)23(22-15)18-11-7-4-8-12-18)20(24)21-14-13-17-9-5-3-6-10-17/h3-12H,13-14H2,1-2H3,(H,21,24)
InChIKeyRYDGLQTWDIMVBP-UHFFFAOYSA-N
XLogP3.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide (CID 2486391) is 3,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCc1ccccc1.
What is the InChIKey of 3,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide?
The InChIKey is RYDGLQTWDIMVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-15-19(16(2)23(22-15)18-11-7-4-8-12-18)20(24)21-14-13-17-9-5-3-6-10-17/h3-12H,13-14H2,1-2H3,(H,21,24).
What are the key properties of 3,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide?
3,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 2486391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).