1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide

C21H21Cl2N3O3 — CID 42755387

IUPAC1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2ccc(OC)cc2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H21Cl2N3O3/c1-28-11-3-10-24-21(27)20-13-19(14-4-7-16(29-2)8-5-14)25-26(20)15-6-9-17(22)18(23)12-15/h4-9,12-13H,3,10-11H2,1-2H3,(H,24,27)
InChIKeyPZXFITKSWMWLHA-UHFFFAOYSA-N
MW434.32 g/mol
LogP4.62
Rot. Bonds8

About 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide

1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide (PubChem CID 42755387) has the molecular formula C21H21Cl2N3O3 and a molecular weight of 434.32 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide
PubChem CID42755387
Molecular FormulaC21H21Cl2N3O3
Molecular Weight434.32 g/mol
Exact Mass433.10
IUPAC Name1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2ccc(OC)cc2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H21Cl2N3O3/c1-28-11-3-10-24-21(27)20-13-19(14-4-7-16(29-2)8-5-14)25-26(20)15-6-9-17(22)18(23)12-15/h4-9,12-13H,3,10-11H2,1-2H3,(H,24,27)
InChIKeyPZXFITKSWMWLHA-UHFFFAOYSA-N
XLogP4.62
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3908887
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide
CID 4553947
N-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 42755291
1-(3-chlorophenyl)-N-(3-methoxypropyl)-3-phenylpyrazole-5-carboxamide
CID 4561302
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42755338
N-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 3359659
1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 4542622
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide
CID 5224331
1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 42755549
3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-propylpyrazole-5-carboxamide
CID 42759384
1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 5195626
3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-5-carboxamide
CID 3582112

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide (CID 42755387) is 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide is COCCCNC(=O)c1cc(-c2ccc(OC)cc2)nn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide?
The InChIKey is PZXFITKSWMWLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O3/c1-28-11-3-10-24-21(27)20-13-19(14-4-7-16(29-2)8-5-14)25-26(20)15-6-9-17(22)18(23)12-15/h4-9,12-13H,3,10-11H2,1-2H3,(H,24,27).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide?
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide has a molecular weight of 434.32 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 42755387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).