1-(3,5-dimethylphenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyltriazole-4-carboxamide

C18H22N6O — CID 171132678

IUPAC1-(3,5-dimethylphenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyltriazole-4-carboxamide
SMILESCc1cc(C)cc(-n2nnc(C(=O)NCc3cc(C)nn3C)c2C)c1
InChIInChI=1S/C18H22N6O/c1-11-6-12(2)8-15(7-11)24-14(4)17(20-22-24)18(25)19-10-16-9-13(3)21-23(16)5/h6-9H,10H2,1-5H3,(H,19,25)
InChIKeyWWZGSDZHNVVPEW-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.16
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyltriazole-4-carboxamide

1-(3,5-dimethylphenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyltriazole-4-carboxamide (PubChem CID 171132678) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyltriazole-4-carboxamide
PubChem CID171132678
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name1-(3,5-dimethylphenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyltriazole-4-carboxamide
SMILESCc1cc(C)cc(-n2nnc(C(=O)NCc3cc(C)nn3C)c2C)c1
InChIInChI=1S/C18H22N6O/c1-11-6-12(2)8-15(7-11)24-14(4)17(20-22-24)18(25)19-10-16-9-13(3)21-23(16)5/h6-9H,10H2,1-5H3,(H,19,25)
InChIKeyWWZGSDZHNVVPEW-UHFFFAOYSA-N
XLogP2.16
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-1-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 27234925
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide
CID 19294306
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19292744
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,5-dinitrobenzamide
CID 19292730
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 131005414
N-(3,5-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 22516262
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]triazole-4-carboxamide
CID 126770974
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide
CID 126421523
N-[(2,5-dimethylpyrazol-3-yl)methyl]quinoxaline-6-carboxamide
CID 74250263
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-nitrobenzamide
CID 19294436
5-methyl-1-(3-methylphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide
CID 55857322
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxybenzamide
CID 19292722

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyltriazole-4-carboxamide (CID 171132678) is 1-(3,5-dimethylphenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyltriazole-4-carboxamide is Cc1cc(C)cc(-n2nnc(C(=O)NCc3cc(C)nn3C)c2C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyltriazole-4-carboxamide?
The InChIKey is WWZGSDZHNVVPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-11-6-12(2)8-15(7-11)24-14(4)17(20-22-24)18(25)19-10-16-9-13(3)21-23(16)5/h6-9H,10H2,1-5H3,(H,19,25).
What are the key properties of 1-(3,5-dimethylphenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyltriazole-4-carboxamide?
1-(3,5-dimethylphenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyltriazole-4-carboxamide has a molecular weight of 338.42 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 171132678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).