N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide

C27H26N4O3 — CID 24982004

IUPACN-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C27H26N4O3/c1-3-30(19-26(32)28-22-16-10-11-17-25(22)34-2)27(33)24-18-23(20-12-6-4-7-13-20)29-31(24)21-14-8-5-9-15-21/h4-18H,3,19H2,1-2H3,(H,28,32)
InChIKeyJDYYZARGWHYMPA-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.65
Rot. Bonds8

About N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide

N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide (PubChem CID 24982004) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide
PubChem CID24982004
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC NameN-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C27H26N4O3/c1-3-30(19-26(32)28-22-16-10-11-17-25(22)34-2)27(33)24-18-23(20-12-6-4-7-13-20)29-31(24)21-14-8-5-9-15-21/h4-18H,3,19H2,1-2H3,(H,28,32)
InChIKeyJDYYZARGWHYMPA-UHFFFAOYSA-N
XLogP4.65
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide?
The IUPAC name of N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide (CID 24982004) is N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide is CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide?
The InChIKey is JDYYZARGWHYMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c1-3-30(19-26(32)28-22-16-10-11-17-25(22)34-2)27(33)24-18-23(20-12-6-4-7-13-20)29-31(24)21-14-8-5-9-15-21/h4-18H,3,19H2,1-2H3,(H,28,32).
What are the key properties of N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide?
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide is sourced from PubChem (CID 24982004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).