1-(4-chlorophenyl)-N-[4-(dipropylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide

C23H26ClN5O2 — CID 78891410

IUPAC1-(4-chlorophenyl)-N-[4-(dipropylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C23H26ClN5O2/c1-4-14-28(15-5-2)23(31)17-6-10-19(11-7-17)26-22(30)21-25-16(3)29(27-21)20-12-8-18(24)9-13-20/h6-13H,4-5,14-15H2,1-3H3,(H,26,30)
InChIKeyFAEISIYLMNAFCQ-UHFFFAOYSA-N
MW439.95 g/mol
LogP4.74
Rot. Bonds8

About 1-(4-chlorophenyl)-N-[4-(dipropylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide

1-(4-chlorophenyl)-N-[4-(dipropylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 78891410) has the molecular formula C23H26ClN5O2 and a molecular weight of 439.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-(dipropylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-(dipropylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide
PubChem CID78891410
Molecular FormulaC23H26ClN5O2
Molecular Weight439.95 g/mol
Exact Mass439.18
IUPAC Name1-(4-chlorophenyl)-N-[4-(dipropylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C23H26ClN5O2/c1-4-14-28(15-5-2)23(31)17-6-10-19(11-7-17)26-22(30)21-25-16(3)29(27-21)20-12-8-18(24)9-13-20/h6-13H,4-5,14-15H2,1-3H3,(H,26,30)
InChIKeyFAEISIYLMNAFCQ-UHFFFAOYSA-N
XLogP4.74
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.95
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 24587148
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 31859234
1-(4-chlorophenyl)-5-methyl-N-[3-(propylcarbamoyl)phenyl]-1,2,4-triazole-3-carboxamide
CID 78875854
1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 78865661
1-(4-chlorophenyl)-5-methyl-N-prop-2-ynyl-1,2,4-triazole-3-carboxamide
CID 24542740
1-N-(4-chlorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056617
N-(2-amino-2-oxoethyl)-N-butyl-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 78883233
1-(4-chlorophenyl)-N-(2-hydroxypropyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 78856116
1-(3,5-dichlorophenyl)-N-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 1473971
1-(4-chlorophenyl)-5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,2,4-triazole-3-carboxamide
CID 78902007
N-[3-(tert-butylcarbamoyl)phenyl]-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 78890975
1-(4-chlorophenyl)-N-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 15944333

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-(dipropylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-(dipropylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide (CID 78891410) is 1-(4-chlorophenyl)-N-[4-(dipropylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-(dipropylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-(dipropylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide is CCCN(CCC)C(=O)c1ccc(NC(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-(dipropylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is FAEISIYLMNAFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O2/c1-4-14-28(15-5-2)23(31)17-6-10-19(11-7-17)26-22(30)21-25-16(3)29(27-21)20-12-8-18(24)9-13-20/h6-13H,4-5,14-15H2,1-3H3,(H,26,30).
What are the key properties of 1-(4-chlorophenyl)-N-[4-(dipropylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide?
1-(4-chlorophenyl)-N-[4-(dipropylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 439.95 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-(dipropylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 78891410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).