3-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide

C21H21N3O5 — CID 71704281

IUPAC3-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(C(=O)CNC(=O)c2cc(-c3ccc(OC)c(OC)c3)n[nH]2)cc1
InChIInChI=1S/C21H21N3O5/c1-27-15-7-4-13(5-8-15)18(25)12-22-21(26)17-11-16(23-24-17)14-6-9-19(28-2)20(10-14)29-3/h4-11H,12H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyXULWYPGYFIXMMX-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.72
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide

3-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide (PubChem CID 71704281) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide
PubChem CID71704281
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(C(=O)CNC(=O)c2cc(-c3ccc(OC)c(OC)c3)n[nH]2)cc1
InChIInChI=1S/C21H21N3O5/c1-27-15-7-4-13(5-8-15)18(25)12-22-21(26)17-11-16(23-24-17)14-6-9-19(28-2)20(10-14)29-3/h4-11H,12H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyXULWYPGYFIXMMX-UHFFFAOYSA-N
XLogP2.72
TPSA102.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid
CID 119352752
3-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 2041763
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918238
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 20918258
3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 70732817
N-(3-hydroxypropyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71569743
3-(3,4-dimethoxyphenyl)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-1H-pyrazole-5-carboxamide
CID 6021427
3-(3,4-dimethoxyphenyl)-N-[1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 3944930
4-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid
CID 72910598
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514458
3-(3,4-dimethoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)-1H-pyrazole-5-carboxamide
CID 71701404
3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 20918235

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide (CID 71704281) is 3-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide is COc1ccc(C(=O)CNC(=O)c2cc(-c3ccc(OC)c(OC)c3)n[nH]2)cc1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is XULWYPGYFIXMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-27-15-7-4-13(5-8-15)18(25)12-22-21(26)17-11-16(23-24-17)14-6-9-19(28-2)20(10-14)29-3/h4-11H,12H2,1-3H3,(H,22,26)(H,23,24).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide?
3-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71704281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).