1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide

C25H21Cl2N3O2 — CID 3908887

IUPAC1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCc3ccccc3)n(-c3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C25H21Cl2N3O2/c1-32-20-10-7-18(8-11-20)23-16-24(25(31)28-14-13-17-5-3-2-4-6-17)30(29-23)19-9-12-21(26)22(27)15-19/h2-12,15-16H,13-14H2,1H3,(H,28,31)
InChIKeyCUHZUCYQPLQZAA-UHFFFAOYSA-N
MW466.37 g/mol
LogP5.83
Rot. Bonds7

About 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide

1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide (PubChem CID 3908887) has the molecular formula C25H21Cl2N3O2 and a molecular weight of 466.37 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
PubChem CID3908887
Molecular FormulaC25H21Cl2N3O2
Molecular Weight466.37 g/mol
Exact Mass465.10
IUPAC Name1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCc3ccccc3)n(-c3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C25H21Cl2N3O2/c1-32-20-10-7-18(8-11-20)23-16-24(25(31)28-14-13-17-5-3-2-4-6-17)30(29-23)19-9-12-21(26)22(27)15-19/h2-12,15-16H,13-14H2,1H3,(H,28,31)
InChIKeyCUHZUCYQPLQZAA-UHFFFAOYSA-N
XLogP5.83
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.37
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42755174
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide
CID 42755387
1-(3,4-dichlorophenyl)-3-(furan-2-yl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 1053539
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide
CID 5224331
1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 5028936
1-(4-methoxyphenyl)-3-phenyl-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 42754625
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42755338
3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-propylpyrazole-5-carboxamide
CID 42759384
1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 4542622
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 3474124
N-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 42755291
1-(3,4-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 3663891

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide (CID 3908887) is 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCCc3ccccc3)n(-c3ccc(Cl)c(Cl)c3)n2)cc1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide?
The InChIKey is CUHZUCYQPLQZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N3O2/c1-32-20-10-7-18(8-11-20)23-16-24(25(31)28-14-13-17-5-3-2-4-6-17)30(29-23)19-9-12-21(26)22(27)15-19/h2-12,15-16H,13-14H2,1H3,(H,28,31).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide?
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide has a molecular weight of 466.37 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 3908887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).