5-methyl-1,3-diphenyl-N-(1-phenylethyl)pyrazole-4-carboxamide

C25H23N3O — CID 3568222

IUPAC5-methyl-1,3-diphenyl-N-(1-phenylethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C25H23N3O/c1-18(20-12-6-3-7-13-20)26-25(29)23-19(2)28(22-16-10-5-11-17-22)27-24(23)21-14-8-4-9-15-21/h3-18H,1-2H3,(H,26,29)
InChIKeyPSGZFJOLAKJHMT-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.34
Rot. Bonds5

About 5-methyl-1,3-diphenyl-N-(1-phenylethyl)pyrazole-4-carboxamide

5-methyl-1,3-diphenyl-N-(1-phenylethyl)pyrazole-4-carboxamide (PubChem CID 3568222) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is 5-methyl-1,3-diphenyl-N-(1-phenylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1,3-diphenyl-N-(1-phenylethyl)pyrazole-4-carboxamide
PubChem CID3568222
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name5-methyl-1,3-diphenyl-N-(1-phenylethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C25H23N3O/c1-18(20-12-6-3-7-13-20)26-25(29)23-19(2)28(22-16-10-5-11-17-22)27-24(23)21-14-8-4-9-15-21/h3-18H,1-2H3,(H,26,29)
InChIKeyPSGZFJOLAKJHMT-UHFFFAOYSA-N
XLogP5.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-diphenyl-N-(1-phenylethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1,3-diphenyl-N-(1-phenylethyl)pyrazole-4-carboxamide (CID 3568222) is 5-methyl-1,3-diphenyl-N-(1-phenylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1,3-diphenyl-N-(1-phenylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1,3-diphenyl-N-(1-phenylethyl)pyrazole-4-carboxamide is Cc1c(C(=O)NC(C)c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-1,3-diphenyl-N-(1-phenylethyl)pyrazole-4-carboxamide?
The InChIKey is PSGZFJOLAKJHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O/c1-18(20-12-6-3-7-13-20)26-25(29)23-19(2)28(22-16-10-5-11-17-22)27-24(23)21-14-8-4-9-15-21/h3-18H,1-2H3,(H,26,29).
What are the key properties of 5-methyl-1,3-diphenyl-N-(1-phenylethyl)pyrazole-4-carboxamide?
5-methyl-1,3-diphenyl-N-(1-phenylethyl)pyrazole-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-diphenyl-N-(1-phenylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 3568222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).