3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide

C22H25N3O4 — CID 29202756

IUPAC3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide
SMILESCOCCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1OC
InChIInChI=1S/C22H25N3O4/c1-27-13-7-12-23-22(26)19-15-25(16-8-5-4-6-9-16)24-21(19)18-11-10-17(28-2)14-20(18)29-3/h4-6,8-11,14-15H,7,12-13H2,1-3H3,(H,23,26)
InChIKeyJEAXEOHUJKTLIN-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.32
Rot. Bonds9

About 3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide

3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 29202756) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide
PubChem CID29202756
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide
SMILESCOCCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1OC
InChIInChI=1S/C22H25N3O4/c1-27-13-7-12-23-22(26)19-15-25(16-8-5-4-6-9-16)24-21(19)18-11-10-17(28-2)14-20(18)29-3/h4-6,8-11,14-15H,7,12-13H2,1-3H3,(H,23,26)
InChIKeyJEAXEOHUJKTLIN-UHFFFAOYSA-N
XLogP3.32
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dimethoxyphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 46399913
3-(2,4-dimethoxyphenyl)-N-[2-(ethylamino)ethyl]-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119507189
N-[3-(azepan-1-yl)propyl]-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 30942340
3-(2,4-dimethoxyphenyl)-1-phenyl-N-(3-piperidin-1-ylpropyl)pyrazole-4-carboxamide
CID 35377857
3-(2,4-dimethoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide
CID 60605961
3-(2,4-dimethoxyphenyl)-N-(2-hydroxypropyl)-1-phenylpyrazole-4-carboxamide
CID 78803663
3-(2,4-dimethoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)butyl]-1-phenylpyrazole-4-carboxamide
CID 55724250
3-(2,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 29207262
3-(2,4-dimethoxyphenyl)-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 30101728
3-(2,5-dimethoxyphenyl)-N-[2-(2-methylphenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 52706502
N-(3-hydroxypropyl)-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78796345
3-(2,4-dimethoxyphenyl)-1-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 112765029

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide (CID 29202756) is 3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide is COCCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1OC.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is JEAXEOHUJKTLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-27-13-7-12-23-22(26)19-15-25(16-8-5-4-6-9-16)24-21(19)18-11-10-17(28-2)14-20(18)29-3/h4-6,8-11,14-15H,7,12-13H2,1-3H3,(H,23,26).
What are the key properties of 3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide?
3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 29202756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).