N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide

C26H24N4O2 — CID 25162396

IUPACN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C26H24N4O2/c1-19-13-15-21(16-14-19)27-25(31)18-29(2)26(32)24-17-23(20-9-5-3-6-10-20)28-30(24)22-11-7-4-8-12-22/h3-17H,18H2,1-2H3,(H,27,31)
InChIKeyHJEKIVKBBCRFNF-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.56
Rot. Bonds6

About N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide (PubChem CID 25162396) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide
PubChem CID25162396
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C26H24N4O2/c1-19-13-15-21(16-14-19)27-25(31)18-29(2)26(32)24-17-23(20-9-5-3-6-10-20)28-30(24)22-11-7-4-8-12-22/h3-17H,18H2,1-2H3,(H,27,31)
InChIKeyHJEKIVKBBCRFNF-UHFFFAOYSA-N
XLogP4.56
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide?
The IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide (CID 25162396) is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide?
The canonical SMILES for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide is Cc1ccc(NC(=O)CN(C)C(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide?
The InChIKey is HJEKIVKBBCRFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-19-13-15-21(16-14-19)27-25(31)18-29(2)26(32)24-17-23(20-9-5-3-6-10-20)28-30(24)22-11-7-4-8-12-22/h3-17H,18H2,1-2H3,(H,27,31).
What are the key properties of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide?
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide is sourced from PubChem (CID 25162396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).