4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]benzamide

C19H24N6O — CID 56901368

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCCn3nc(C)nc3C)cc2)n1
InChIInChI=1S/C19H24N6O/c1-13-11-14(2)25(22-13)12-17-5-7-18(8-6-17)19(26)20-9-10-24-16(4)21-15(3)23-24/h5-8,11H,9-10,12H2,1-4H3,(H,20,26)
InChIKeyMLEMNDJECPUPRH-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.19
Rot. Bonds6

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]benzamide

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]benzamide (PubChem CID 56901368) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]benzamide
PubChem CID56901368
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCCn3nc(C)nc3C)cc2)n1
InChIInChI=1S/C19H24N6O/c1-13-11-14(2)25(22-13)12-17-5-7-18(8-6-17)19(26)20-9-10-24-16(4)21-15(3)23-24/h5-8,11H,9-10,12H2,1-4H3,(H,20,26)
InChIKeyMLEMNDJECPUPRH-UHFFFAOYSA-N
XLogP2.19
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]benzamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]benzamide (CID 56901368) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]benzamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]benzamide is Cc1cc(C)n(Cc2ccc(C(=O)NCCn3nc(C)nc3C)cc2)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]benzamide?
The InChIKey is MLEMNDJECPUPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-13-11-14(2)25(22-13)12-17-5-7-18(8-6-17)19(26)20-9-10-24-16(4)21-15(3)23-24/h5-8,11H,9-10,12H2,1-4H3,(H,20,26).
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]benzamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]benzamide has a molecular weight of 352.44 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 56901368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).