3-(3,4-dimethoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide

C25H30N4O5 — CID 55488628

IUPAC3-(3,4-dimethoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide
SMILESCOCCCNC(=O)CN(C)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C25H30N4O5/c1-28(17-23(30)26-13-8-14-32-2)25(31)20-16-29(19-9-6-5-7-10-19)27-24(20)18-11-12-21(33-3)22(15-18)34-4/h5-7,9-12,15-16H,8,13-14,17H2,1-4H3,(H,26,30)
InChIKeySFODSLSYCPCPIN-UHFFFAOYSA-N
MW466.54 g/mol
LogP2.78
Rot. Bonds11

About 3-(3,4-dimethoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide

3-(3,4-dimethoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 55488628) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID55488628
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide
SMILESCOCCCNC(=O)CN(C)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C25H30N4O5/c1-28(17-23(30)26-13-8-14-32-2)25(31)20-16-29(19-9-6-5-7-10-19)27-24(20)18-11-12-21(33-3)22(15-18)34-4/h5-7,9-12,15-16H,8,13-14,17H2,1-4H3,(H,26,30)
InChIKeySFODSLSYCPCPIN-UHFFFAOYSA-N
XLogP2.78
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-4-carboxamide
CID 55358256
3-(3,4-dimethoxyphenyl)-N-methyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 18114147
N-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 9296494
3-(3,4-dimethoxyphenyl)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide
CID 26454642
3-(3,4-dimethoxyphenyl)-1-phenyl-N'-(2-phenylacetyl)pyrazole-4-carbohydrazide
CID 25475855
N'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 43012762
N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)-N-ethyl-1-phenylpyrazole-4-carboxamide
CID 86939949
3-(3,4-dimethoxyphenyl)-1-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 16613798
3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 29214008
3-(3,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 112795990
N-(4-acetamidophenyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 29195602
3-(3,4-dimethoxyphenyl)-N-(3-methylsulfinylbutyl)-1-phenylpyrazole-4-carboxamide
CID 71915708

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide (CID 55488628) is 3-(3,4-dimethoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide is COCCCNC(=O)CN(C)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is SFODSLSYCPCPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-28(17-23(30)26-13-8-14-32-2)25(31)20-16-29(19-9-6-5-7-10-19)27-24(20)18-11-12-21(33-3)22(15-18)34-4/h5-7,9-12,15-16H,8,13-14,17H2,1-4H3,(H,26,30).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide?
3-(3,4-dimethoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 2.78, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 55488628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).