5-methyl-1,3-diphenyl-N-propan-2-ylpyrazole-4-carboxamide

C20H21N3O — CID 759525

IUPAC5-methyl-1,3-diphenyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)C)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C20H21N3O/c1-14(2)21-20(24)18-15(3)23(17-12-8-5-9-13-17)22-19(18)16-10-6-4-7-11-16/h4-14H,1-3H3,(H,21,24)
InChIKeyHRTVJMDIVASELO-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.99
Rot. Bonds4

About 5-methyl-1,3-diphenyl-N-propan-2-ylpyrazole-4-carboxamide

5-methyl-1,3-diphenyl-N-propan-2-ylpyrazole-4-carboxamide (PubChem CID 759525) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-methyl-1,3-diphenyl-N-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1,3-diphenyl-N-propan-2-ylpyrazole-4-carboxamide
PubChem CID759525
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name5-methyl-1,3-diphenyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)C)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C20H21N3O/c1-14(2)21-20(24)18-15(3)23(17-12-8-5-9-13-17)22-19(18)16-10-6-4-7-11-16/h4-14H,1-3H3,(H,21,24)
InChIKeyHRTVJMDIVASELO-UHFFFAOYSA-N
XLogP3.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.99
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-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1,3-diphenyl-N-propan-2-ylpyrazole-4-carboxamide (CID 759525) is 5-methyl-1,3-diphenyl-N-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1,3-diphenyl-N-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1,3-diphenyl-N-propan-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)NC(C)C)c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-1,3-diphenyl-N-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is HRTVJMDIVASELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14(2)21-20(24)18-15(3)23(17-12-8-5-9-13-17)22-19(18)16-10-6-4-7-11-16/h4-14H,1-3H3,(H,21,24).
What are the key properties of 5-methyl-1,3-diphenyl-N-propan-2-ylpyrazole-4-carboxamide?
5-methyl-1,3-diphenyl-N-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 3.99, 4 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-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 759525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).