3-(2,4-dichlorophenyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide

C20H16Cl2N6O — CID 19510109

IUPAC3-(2,4-dichlorophenyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
SMILESCc1cccc(Cn2cnc(NC(=O)c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)n2)c1
InChIInChI=1S/C20H16Cl2N6O/c1-12-3-2-4-13(7-12)10-28-11-23-20(27-28)24-19(29)18-9-17(25-26-18)15-6-5-14(21)8-16(15)22/h2-9,11H,10H2,1H3,(H,25,26)(H,24,27,29)
InChIKeyZGPSQKBTPKXQJB-UHFFFAOYSA-N
MW427.30 g/mol
LogP4.58
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide

3-(2,4-dichlorophenyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 19510109) has the molecular formula C20H16Cl2N6O and a molecular weight of 427.30 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID19510109
Molecular FormulaC20H16Cl2N6O
Molecular Weight427.30 g/mol
Exact Mass426.08
IUPAC Name3-(2,4-dichlorophenyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
SMILESCc1cccc(Cn2cnc(NC(=O)c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)n2)c1
InChIInChI=1S/C20H16Cl2N6O/c1-12-3-2-4-13(7-12)10-28-11-23-20(27-28)24-19(29)18-9-17(25-26-18)15-6-5-14(21)8-16(15)22/h2-9,11H,10H2,1H3,(H,25,26)(H,24,27,29)
InChIKeyZGPSQKBTPKXQJB-UHFFFAOYSA-N
XLogP4.58
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513082
3-(4-chlorophenyl)-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
CID 19509499
3-(2,4-dichlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide
CID 19284710
N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509813
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513087
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19335893
1-[(2-bromo-4-chlorophenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-3-carboxamide
CID 19274537
N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415583
N-(1-benzylpyrazol-4-yl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19397544
3-(3,4-dichlorophenyl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
CID 19513682
3-(2,4-dichlorophenyl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19510126
2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19521100

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide (CID 19510109) is 3-(2,4-dichlorophenyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide is Cc1cccc(Cn2cnc(NC(=O)c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)n2)c1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is ZGPSQKBTPKXQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N6O/c1-12-3-2-4-13(7-12)10-28-11-23-20(27-28)24-19(29)18-9-17(25-26-18)15-6-5-14(21)8-16(15)22/h2-9,11H,10H2,1H3,(H,25,26)(H,24,27,29).
What are the key properties of 3-(2,4-dichlorophenyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide?
3-(2,4-dichlorophenyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 427.30 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19510109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).