2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]acetamide

C17H20N6O — CID 19525893

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]acetamide
SMILESCc1cccc(Cn2cnc(NC(=O)Cn3nc(C)cc3C)n2)c1
InChIInChI=1S/C17H20N6O/c1-12-5-4-6-15(7-12)9-22-11-18-17(21-22)19-16(24)10-23-14(3)8-13(2)20-23/h4-8,11H,9-10H2,1-3H3,(H,19,21,24)
InChIKeyTVKYNPWBTRUQDO-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.09
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]acetamide (PubChem CID 19525893) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]acetamide
PubChem CID19525893
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]acetamide
SMILESCc1cccc(Cn2cnc(NC(=O)Cn3nc(C)cc3C)n2)c1
InChIInChI=1S/C17H20N6O/c1-12-5-4-6-15(7-12)9-22-11-18-17(21-22)19-16(24)10-23-14(3)8-13(2)20-23/h4-8,11H,9-10H2,1-3H3,(H,19,21,24)
InChIKeyTVKYNPWBTRUQDO-UHFFFAOYSA-N
XLogP2.09
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19467777
2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19521100
N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
CID 19516658
3-(4-chloropyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19539613
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19557874
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19520726
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19516666
N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22771721
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-[(3-methylphenyl)methoxy]benzohydrazide
CID 32743558
3-(2,4-dichlorophenyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
CID 19510109
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19533480
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519175

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]acetamide (CID 19525893) is 2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]acetamide is Cc1cccc(Cn2cnc(NC(=O)Cn3nc(C)cc3C)n2)c1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]acetamide?
The InChIKey is TVKYNPWBTRUQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-12-5-4-6-15(7-12)9-22-11-18-17(21-22)19-16(24)10-23-14(3)8-13(2)20-23/h4-8,11H,9-10H2,1-3H3,(H,19,21,24).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]acetamide has a molecular weight of 324.39 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 19525893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).