N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide

C17H20N6O2 — CID 138025561

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide
SMILESCOc1ccc(-n2cc(C(=O)NC(C)c3cn(C)nc3C)nn2)cc1
InChIInChI=1S/C17H20N6O2/c1-11(15-9-22(3)20-12(15)2)18-17(24)16-10-23(21-19-16)13-5-7-14(25-4)8-6-13/h5-11H,1-4H3,(H,18,24)
InChIKeySSCGWZNXDZGNIR-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.81
Rot. Bonds5

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide (PubChem CID 138025561) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide
PubChem CID138025561
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide
SMILESCOc1ccc(-n2cc(C(=O)NC(C)c3cn(C)nc3C)nn2)cc1
InChIInChI=1S/C17H20N6O2/c1-11(15-9-22(3)20-12(15)2)18-17(24)16-10-23(21-19-16)13-5-7-14(25-4)8-6-13/h5-11H,1-4H3,(H,18,24)
InChIKeySSCGWZNXDZGNIR-UHFFFAOYSA-N
XLogP1.81
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 92614454
1-(4-methoxyphenyl)triazole-4-carboxylic acid
CID 10513054
1-(2,4-dimethoxyphenyl)-3-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]urea
CID 970380
N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 13413916
3-(difluoromethoxy)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 19466850
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethylphenyl)triazole-4-carboxamide
CID 95183306
3-[3-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19623636
1-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide
CID 23610490
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzamide
CID 19466965
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyridazine-4-carboxamide
CID 146122778
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide
CID 95183296
1-(1,3-dimethylpyrazol-4-yl)-N-methoxyethanamine
CID 82706207

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide (CID 138025561) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide is COc1ccc(-n2cc(C(=O)NC(C)c3cn(C)nc3C)nn2)cc1.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide?
The InChIKey is SSCGWZNXDZGNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-11(15-9-22(3)20-12(15)2)18-17(24)16-10-23(21-19-16)13-5-7-14(25-4)8-6-13/h5-11H,1-4H3,(H,18,24).
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 138025561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).