5-chloro-N-(3-chloro-4-methoxyphenyl)-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide

C19H16Cl3N3O2 — CID 2161257

IUPAC5-chloro-N-(3-chloro-4-methoxyphenyl)-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1Cl
InChIInChI=1S/C19H16Cl3N3O2/c1-11-17(19(26)23-13-7-8-16(27-2)15(21)9-13)18(22)25(24-11)10-12-5-3-4-6-14(12)20/h3-9H,10H2,1-2H3,(H,23,26)
InChIKeyDFCOAABPZDSRBY-UHFFFAOYSA-N
MW424.72 g/mol
LogP5.46
Rot. Bonds5

About 5-chloro-N-(3-chloro-4-methoxyphenyl)-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide

5-chloro-N-(3-chloro-4-methoxyphenyl)-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide (PubChem CID 2161257) has the molecular formula C19H16Cl3N3O2 and a molecular weight of 424.72 g/mol. Its IUPAC name is 5-chloro-N-(3-chloro-4-methoxyphenyl)-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-chloro-4-methoxyphenyl)-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide
PubChem CID2161257
Molecular FormulaC19H16Cl3N3O2
Molecular Weight424.72 g/mol
Exact Mass423.03
IUPAC Name5-chloro-N-(3-chloro-4-methoxyphenyl)-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1Cl
InChIInChI=1S/C19H16Cl3N3O2/c1-11-17(19(26)23-13-7-8-16(27-2)15(21)9-13)18(22)25(24-11)10-12-5-3-4-6-14(12)20/h3-9H,10H2,1-2H3,(H,23,26)
InChIKeyDFCOAABPZDSRBY-UHFFFAOYSA-N
XLogP5.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.72
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 679804
5-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 4293116
5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 17558506
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 25106744
1-benzyl-5-chloro-N-(2-methoxy-5-methylphenyl)-3-methylpyrazole-4-carboxamide
CID 2090618
1-benzyl-5-chloro-3-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 2118839
3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide
CID 2128351
1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 2489518
5-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide
CID 24980313
1-benzyl-N-(3-chloro-4-methoxyphenyl)-3-[3-(dimethylamino)propoxy]pyrazole-5-carboxamide
CID 44267850
US9598423, Example 67
CID 118071230
5-chloro-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 16295889

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chloro-4-methoxyphenyl)-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(3-chloro-4-methoxyphenyl)-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide (CID 2161257) is 5-chloro-N-(3-chloro-4-methoxyphenyl)-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-chloro-4-methoxyphenyl)-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(3-chloro-4-methoxyphenyl)-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1Cl.
What is the InChIKey of 5-chloro-N-(3-chloro-4-methoxyphenyl)-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide?
The InChIKey is DFCOAABPZDSRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl3N3O2/c1-11-17(19(26)23-13-7-8-16(27-2)15(21)9-13)18(22)25(24-11)10-12-5-3-4-6-14(12)20/h3-9H,10H2,1-2H3,(H,23,26).
What are the key properties of 5-chloro-N-(3-chloro-4-methoxyphenyl)-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide?
5-chloro-N-(3-chloro-4-methoxyphenyl)-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide has a molecular weight of 424.72 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chloro-4-methoxyphenyl)-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 2161257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).