N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide

C26H26N4O4 — CID 55344293

IUPACN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)o1
InChIInChI=1S/C26H26N4O4/c1-4-29(17-24(31)27-19-9-8-12-21(15-19)33-3)26(32)22-16-30(20-10-6-5-7-11-20)28-25(22)23-14-13-18(2)34-23/h5-16H,4,17H2,1-3H3,(H,27,31)
InChIKeyJGJQYRRVUQJEAV-UHFFFAOYSA-N
MW458.52 g/mol
LogP4.55
Rot. Bonds8

About N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 55344293) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID55344293
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC NameN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)o1
InChIInChI=1S/C26H26N4O4/c1-4-29(17-24(31)27-19-9-8-12-21(15-19)33-3)26(32)22-16-30(20-10-6-5-7-11-20)28-25(22)23-14-13-18(2)34-23/h5-16H,4,17H2,1-3H3,(H,27,31)
InChIKeyJGJQYRRVUQJEAV-UHFFFAOYSA-N
XLogP4.55
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31131413
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 34778567
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 60618248
N-[2-(4-methoxyphenoxy)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 55416323
N-ethyl-2-ethylsulfonyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 55383995
N-ethyl-2,3,4-trimethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 55344386
methyl 4-[methyl-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]butanoate
CID 36626711
N-(2-hydroxyethyl)-N-methyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 110878130
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
N-ethyl-1-(4-fluorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide
CID 60592438
2-[ethyl-(2-phenoxyacetyl)amino]-N-(3-methoxyphenyl)acetamide
CID 9094787
N-(4-carbamoyl-3-methylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 56518331

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide (CID 55344293) is N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide is CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)o1.
What is the InChIKey of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is JGJQYRRVUQJEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-4-29(17-24(31)27-19-9-8-12-21(15-19)33-3)26(32)22-16-30(20-10-6-5-7-11-20)28-25(22)23-14-13-18(2)34-23/h5-16H,4,17H2,1-3H3,(H,27,31).
What are the key properties of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 55344293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).