1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide

C24H20Cl2N4O — CID 4215643

IUPAC1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3cccnc3)n(-c3ccc(Cl)c(Cl)c3)n2)cc1C
InChIInChI=1S/C24H20Cl2N4O/c1-15-5-6-18(10-16(15)2)22-12-23(24(31)28-14-17-4-3-9-27-13-17)30(29-22)19-7-8-20(25)21(26)11-19/h3-13H,14H2,1-2H3,(H,28,31)
InChIKeyAVBVYZUZRBFPPT-UHFFFAOYSA-N
MW451.36 g/mol
LogP5.79
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide

1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide (PubChem CID 4215643) has the molecular formula C24H20Cl2N4O and a molecular weight of 451.36 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
PubChem CID4215643
Molecular FormulaC24H20Cl2N4O
Molecular Weight451.36 g/mol
Exact Mass450.10
IUPAC Name1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3cccnc3)n(-c3ccc(Cl)c(Cl)c3)n2)cc1C
InChIInChI=1S/C24H20Cl2N4O/c1-15-5-6-18(10-16(15)2)22-12-23(24(31)28-14-17-4-3-9-27-13-17)30(29-22)19-7-8-20(25)21(26)11-19/h3-13H,14H2,1-2H3,(H,28,31)
InChIKeyAVBVYZUZRBFPPT-UHFFFAOYSA-N
XLogP5.79
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.36
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 4282121
1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42755274
3-(furan-2-yl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 1053382
N-benzyl-1-(3,4-dichlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 3413806
1-(3-chlorophenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 3389223
1-(3,4-dichlorophenyl)-3,5-diethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42820498
1-(3-chlorophenyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 1053527
4-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)-3,5-dioxo-N-(pyridin-3-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 46004695
1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 5187683
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3908887
3-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42758604
3-methoxy-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 100830411

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide (CID 4215643) is 1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3cccnc3)n(-c3ccc(Cl)c(Cl)c3)n2)cc1C.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is AVBVYZUZRBFPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O/c1-15-5-6-18(10-16(15)2)22-12-23(24(31)28-14-17-4-3-9-27-13-17)30(29-22)19-7-8-20(25)21(26)11-19/h3-13H,14H2,1-2H3,(H,28,31).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide?
1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 451.36 g/mol, XLogP of 5.79, 5 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-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4215643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).