5-methyl-N,1-diphenylpyrazole-4-carboxamide

C17H15N3O — CID 827598

IUPAC5-methyl-N,1-diphenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)cnn1-c1ccccc1
InChIInChI=1S/C17H15N3O/c1-13-16(17(21)19-14-8-4-2-5-9-14)12-18-20(13)15-10-6-3-7-11-15/h2-12H,1H3,(H,19,21)
InChIKeyWDYCNWJEPBDZGF-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.43
Rot. Bonds3

About 5-methyl-N,1-diphenylpyrazole-4-carboxamide

5-methyl-N,1-diphenylpyrazole-4-carboxamide (PubChem CID 827598) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 5-methyl-N,1-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N,1-diphenylpyrazole-4-carboxamide
PubChem CID827598
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name5-methyl-N,1-diphenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)cnn1-c1ccccc1
InChIInChI=1S/C17H15N3O/c1-13-16(17(21)19-14-8-4-2-5-9-14)12-18-20(13)15-10-6-3-7-11-15/h2-12H,1H3,(H,19,21)
InChIKeyWDYCNWJEPBDZGF-UHFFFAOYSA-N
XLogP3.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N,1-diphenylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N,1-diphenylpyrazole-4-carboxamide (CID 827598) is 5-methyl-N,1-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N,1-diphenylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N,1-diphenylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccccc2)cnn1-c1ccccc1.
What is the InChIKey of 5-methyl-N,1-diphenylpyrazole-4-carboxamide?
The InChIKey is WDYCNWJEPBDZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-13-16(17(21)19-14-8-4-2-5-9-14)12-18-20(13)15-10-6-3-7-11-15/h2-12H,1H3,(H,19,21).
What are the key properties of 5-methyl-N,1-diphenylpyrazole-4-carboxamide?
5-methyl-N,1-diphenylpyrazole-4-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N,1-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 827598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).