3-(2,4-dimethoxyphenyl)-N-(4-methylphenyl)-1-propylpyrazole-5-carboxamide

C22H25N3O3 — CID 42879228

IUPAC3-(2,4-dimethoxyphenyl)-N-(4-methylphenyl)-1-propylpyrazole-5-carboxamide
SMILESCCCn1nc(-c2ccc(OC)cc2OC)cc1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C22H25N3O3/c1-5-12-25-20(22(26)23-16-8-6-15(2)7-9-16)14-19(24-25)18-11-10-17(27-3)13-21(18)28-4/h6-11,13-14H,5,12H2,1-4H3,(H,23,26)
InChIKeyMNYJXISIXAOHQS-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.54
Rot. Bonds7

About 3-(2,4-dimethoxyphenyl)-N-(4-methylphenyl)-1-propylpyrazole-5-carboxamide

3-(2,4-dimethoxyphenyl)-N-(4-methylphenyl)-1-propylpyrazole-5-carboxamide (PubChem CID 42879228) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-N-(4-methylphenyl)-1-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-N-(4-methylphenyl)-1-propylpyrazole-5-carboxamide
PubChem CID42879228
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name3-(2,4-dimethoxyphenyl)-N-(4-methylphenyl)-1-propylpyrazole-5-carboxamide
SMILESCCCn1nc(-c2ccc(OC)cc2OC)cc1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C22H25N3O3/c1-5-12-25-20(22(26)23-16-8-6-15(2)7-9-16)14-19(24-25)18-11-10-17(27-3)13-21(18)28-4/h6-11,13-14H,5,12H2,1-4H3,(H,23,26)
InChIKeyMNYJXISIXAOHQS-UHFFFAOYSA-N
XLogP4.54
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 46105329
6-methoxy-N-(4-methylphenyl)-1-oxo-2-propylisoquinoline-3-carboxamide
CID 175651926
1-ethyl-3-(2-fluoro-4-methoxyphenyl)-N-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 46105523
3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-5-carboxamide
CID 42879324
3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920273
3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-ethoxypyrazole-5-carboxamide
CID 4694065
3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide
CID 122305216
N-butyl-3-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 42662540
2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 41376583
N-(4-butylphenyl)-6-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 10453002
N-tert-butyl-3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carboxamide
CID 4303586
3-(2,4-dimethoxyphenyl)-1-methyl-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 4567255

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-N-(4-methylphenyl)-1-propylpyrazole-5-carboxamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-N-(4-methylphenyl)-1-propylpyrazole-5-carboxamide (CID 42879228) is 3-(2,4-dimethoxyphenyl)-N-(4-methylphenyl)-1-propylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-N-(4-methylphenyl)-1-propylpyrazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-N-(4-methylphenyl)-1-propylpyrazole-5-carboxamide is CCCn1nc(-c2ccc(OC)cc2OC)cc1C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-N-(4-methylphenyl)-1-propylpyrazole-5-carboxamide?
The InChIKey is MNYJXISIXAOHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-5-12-25-20(22(26)23-16-8-6-15(2)7-9-16)14-19(24-25)18-11-10-17(27-3)13-21(18)28-4/h6-11,13-14H,5,12H2,1-4H3,(H,23,26).
What are the key properties of 3-(2,4-dimethoxyphenyl)-N-(4-methylphenyl)-1-propylpyrazole-5-carboxamide?
3-(2,4-dimethoxyphenyl)-N-(4-methylphenyl)-1-propylpyrazole-5-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-N-(4-methylphenyl)-1-propylpyrazole-5-carboxamide is sourced from PubChem (CID 42879228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).