5-methyl-1,3-diphenylpyrazole-4-carboxamide

C17H15N3O — CID 843369

IUPAC5-methyl-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1c(C(N)=O)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C17H15N3O/c1-12-15(17(18)21)16(13-8-4-2-5-9-13)19-20(12)14-10-6-3-7-11-14/h2-11H,1H3,(H2,18,21)
InChIKeyJRARPYYPKOUNOP-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.95
Rot. Bonds3

About 5-methyl-1,3-diphenylpyrazole-4-carboxamide

5-methyl-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 843369) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 5-methyl-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1,3-diphenylpyrazole-4-carboxamide
PubChem CID843369
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name5-methyl-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1c(C(N)=O)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C17H15N3O/c1-12-15(17(18)21)16(13-8-4-2-5-9-13)19-20(12)14-10-6-3-7-11-14/h2-11H,1H3,(H2,18,21)
InChIKeyJRARPYYPKOUNOP-UHFFFAOYSA-N
XLogP2.95
TPSA60.91 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 ≤ 52.95
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-diphenylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1,3-diphenylpyrazole-4-carboxamide (CID 843369) is 5-methyl-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1,3-diphenylpyrazole-4-carboxamide is Cc1c(C(N)=O)c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is JRARPYYPKOUNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-15(17(18)21)16(13-8-4-2-5-9-13)19-20(12)14-10-6-3-7-11-14/h2-11H,1H3,(H2,18,21).
What are the key properties of 5-methyl-1,3-diphenylpyrazole-4-carboxamide?
5-methyl-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 843369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).