3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)pyrazole-5-carboxamide

C21H20N4O4 — CID 71796490

IUPAC3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3ccc4c(c3)CC(=O)N4)n(C)n2)c1
InChIInChI=1S/C21H20N4O4/c1-25-18(11-17(24-25)15-10-14(28-2)5-7-19(15)29-3)21(27)22-13-4-6-16-12(8-13)9-20(26)23-16/h4-8,10-11H,9H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyLVVXTZIBZJRWLG-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.85
Rot. Bonds5

About 3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)pyrazole-5-carboxamide

3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)pyrazole-5-carboxamide (PubChem CID 71796490) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)pyrazole-5-carboxamide
PubChem CID71796490
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3ccc4c(c3)CC(=O)N4)n(C)n2)c1
InChIInChI=1S/C21H20N4O4/c1-25-18(11-17(24-25)15-10-14(28-2)5-7-19(15)29-3)21(27)22-13-4-6-16-12(8-13)9-20(26)23-16/h4-8,10-11H,9H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyLVVXTZIBZJRWLG-UHFFFAOYSA-N
XLogP2.85
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-5-carboxamide
CID 71796477
1-(2,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 155113917
1-(2,4-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 30375576
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 46105329
3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-5-carboxamide
CID 122302383
3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]pyrazole-5-carboxamide
CID 122309042
1-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 30375542
3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pyrazole-5-carboxamide
CID 122307863
(1S)-7-methoxy-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97452815
3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]pyrazole-5-carboxamide
CID 122287834
3-(2,5-dimethoxyphenyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 121083972
N-(cyclohexylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)pyrazole-5-carboxamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)pyrazole-5-carboxamide (CID 71796490) is 3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)pyrazole-5-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)Nc3ccc4c(c3)CC(=O)N4)n(C)n2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)pyrazole-5-carboxamide?
The InChIKey is LVVXTZIBZJRWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-25-18(11-17(24-25)15-10-14(28-2)5-7-19(15)29-3)21(27)22-13-4-6-16-12(8-13)9-20(26)23-16/h4-8,10-11H,9H2,1-3H3,(H,22,27)(H,23,26).
What are the key properties of 3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)pyrazole-5-carboxamide?
3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)pyrazole-5-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 71796490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).