2,4-dichloro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide

C20H19Cl2N3O2 — CID 19408497

IUPAC2,4-dichloro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
SMILESCOc1cccc(Cn2nc(C)c(NC(=O)c3ccc(Cl)cc3Cl)c2C)c1
InChIInChI=1S/C20H19Cl2N3O2/c1-12-19(23-20(26)17-8-7-15(21)10-18(17)22)13(2)25(24-12)11-14-5-4-6-16(9-14)27-3/h4-10H,11H2,1-3H3,(H,23,26)
InChIKeyPZWAZGXUMCJDHS-UHFFFAOYSA-N
MW404.30 g/mol
LogP5.12
Rot. Bonds5

About 2,4-dichloro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide

2,4-dichloro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide (PubChem CID 19408497) has the molecular formula C20H19Cl2N3O2 and a molecular weight of 404.30 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
PubChem CID19408497
Molecular FormulaC20H19Cl2N3O2
Molecular Weight404.30 g/mol
Exact Mass403.09
IUPAC Name2,4-dichloro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
SMILESCOc1cccc(Cn2nc(C)c(NC(=O)c3ccc(Cl)cc3Cl)c2C)c1
InChIInChI=1S/C20H19Cl2N3O2/c1-12-19(23-20(26)17-8-7-15(21)10-18(17)22)13(2)25(24-12)11-14-5-4-6-16(9-14)27-3/h4-10H,11H2,1-3H3,(H,23,26)
InChIKeyPZWAZGXUMCJDHS-UHFFFAOYSA-N
XLogP5.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.30
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 39853221
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19408425
6,8-dichloro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide
CID 118171181
4-[(3-chlorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19408421
5-chloro-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-2-methoxybenzamide
CID 19346674
2,4-dichloro-N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 17088754
N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281628
4-fluoro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19408479
4-chloro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19585980
5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methoxybenzamide
CID 19341336
1-[(2-chlorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide
CID 19265220
4,5-dibromo-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 19508537

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide (CID 19408497) is 2,4-dichloro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide is COc1cccc(Cn2nc(C)c(NC(=O)c3ccc(Cl)cc3Cl)c2C)c1.
What is the InChIKey of 2,4-dichloro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide?
The InChIKey is PZWAZGXUMCJDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2/c1-12-19(23-20(26)17-8-7-15(21)10-18(17)22)13(2)25(24-12)11-14-5-4-6-16(9-14)27-3/h4-10H,11H2,1-3H3,(H,23,26).
What are the key properties of 2,4-dichloro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide?
2,4-dichloro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide has a molecular weight of 404.30 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide is sourced from PubChem (CID 19408497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).