N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-4-carboxamide

C26H24N4O2 — CID 16610150

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C26H24N4O2/c1-18-10-9-11-19(2)24(18)28-23(31)16-27-26(32)22-17-30(21-14-7-4-8-15-21)29-25(22)20-12-5-3-6-13-20/h3-15,17H,16H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyLWYTWBKZGIAWGG-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.52
Rot. Bonds6

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-4-carboxamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 16610150) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-4-carboxamide
PubChem CID16610150
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C26H24N4O2/c1-18-10-9-11-19(2)24(18)28-23(31)16-27-26(32)22-17-30(21-14-7-4-8-15-21)29-25(22)20-12-5-3-6-13-20/h3-15,17H,16H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyLWYTWBKZGIAWGG-UHFFFAOYSA-N
XLogP4.52
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-4-carboxamide (CID 16610150) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-4-carboxamide is Cc1cccc(C)c1NC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is LWYTWBKZGIAWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-18-10-9-11-19(2)24(18)28-23(31)16-27-26(32)22-17-30(21-14-7-4-8-15-21)29-25(22)20-12-5-3-6-13-20/h3-15,17H,16H2,1-2H3,(H,27,32)(H,28,31).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-4-carboxamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 16610150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).