N-(2,5-dimethoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide

C24H21N3O3 — CID 4853289

IUPACN-(2,5-dimethoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c1
InChIInChI=1S/C24H21N3O3/c1-29-19-13-14-23(30-2)21(15-19)25-24(28)22-16-20(17-9-5-3-6-10-17)26-27(22)18-11-7-4-8-12-18/h3-16H,1-2H3,(H,25,28)
InChIKeyNEMGQTMCEYKHTF-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.81
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide

N-(2,5-dimethoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide (PubChem CID 4853289) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
PubChem CID4853289
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-(2,5-dimethoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c1
InChIInChI=1S/C24H21N3O3/c1-29-19-13-14-23(30-2)21(15-19)25-24(28)22-16-20(17-9-5-3-6-10-17)26-27(22)18-11-7-4-8-12-18/h3-16H,1-2H3,(H,25,28)
InChIKeyNEMGQTMCEYKHTF-UHFFFAOYSA-N
XLogP4.81
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide (CID 4853289) is N-(2,5-dimethoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide is COc1ccc(OC)c(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide?
The InChIKey is NEMGQTMCEYKHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-29-19-13-14-23(30-2)21(15-19)25-24(28)22-16-20(17-9-5-3-6-10-17)26-27(22)18-11-7-4-8-12-18/h3-16H,1-2H3,(H,25,28).
What are the key properties of N-(2,5-dimethoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide?
N-(2,5-dimethoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide is sourced from PubChem (CID 4853289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).