3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-5-carboxamide

C24H26N4O4 — CID 71796477

IUPAC3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3ccc(N4CCCCC4=O)cc3)n(C)n2)c1
InChIInChI=1S/C24H26N4O4/c1-27-21(15-20(26-27)19-14-18(31-2)11-12-22(19)32-3)24(30)25-16-7-9-17(10-8-16)28-13-5-4-6-23(28)29/h7-12,14-15H,4-6,13H2,1-3H3,(H,25,30)
InChIKeyYHFFRSCMLWUQEI-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.87
Rot. Bonds6

About 3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-5-carboxamide

3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-5-carboxamide (PubChem CID 71796477) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-5-carboxamide
PubChem CID71796477
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3ccc(N4CCCCC4=O)cc3)n(C)n2)c1
InChIInChI=1S/C24H26N4O4/c1-27-21(15-20(26-27)19-14-18(31-2)11-12-22(19)32-3)24(30)25-16-7-9-17(10-8-16)28-13-5-4-6-23(28)29/h7-12,14-15H,4-6,13H2,1-3H3,(H,25,30)
InChIKeyYHFFRSCMLWUQEI-UHFFFAOYSA-N
XLogP3.87
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-5-carboxamide (CID 71796477) is 3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-5-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)Nc3ccc(N4CCCCC4=O)cc3)n(C)n2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-5-carboxamide?
The InChIKey is YHFFRSCMLWUQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-27-21(15-20(26-27)19-14-18(31-2)11-12-22(19)32-3)24(30)25-16-7-9-17(10-8-16)28-13-5-4-6-23(28)29/h7-12,14-15H,4-6,13H2,1-3H3,(H,25,30).
What are the key properties of 3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-5-carboxamide?
3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-5-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 71796477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).