N-(3,5-dimethoxyphenyl)-2-[4-(1-methylpyrazol-3-yl)triazol-1-yl]acetamide

C16H18N6O3 — CID 146137813

IUPACN-(3,5-dimethoxyphenyl)-2-[4-(1-methylpyrazol-3-yl)triazol-1-yl]acetamide
SMILESCOc1cc(NC(=O)Cn2cc(-c3ccn(C)n3)nn2)cc(OC)c1
InChIInChI=1S/C16H18N6O3/c1-21-5-4-14(19-21)15-9-22(20-18-15)10-16(23)17-11-6-12(24-2)8-13(7-11)25-3/h4-9H,10H2,1-3H3,(H,17,23)
InChIKeyNGGCHLRLRFVNMW-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.33
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-2-[4-(1-methylpyrazol-3-yl)triazol-1-yl]acetamide

N-(3,5-dimethoxyphenyl)-2-[4-(1-methylpyrazol-3-yl)triazol-1-yl]acetamide (PubChem CID 146137813) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[4-(1-methylpyrazol-3-yl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[4-(1-methylpyrazol-3-yl)triazol-1-yl]acetamide
PubChem CID146137813
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[4-(1-methylpyrazol-3-yl)triazol-1-yl]acetamide
SMILESCOc1cc(NC(=O)Cn2cc(-c3ccn(C)n3)nn2)cc(OC)c1
InChIInChI=1S/C16H18N6O3/c1-21-5-4-14(19-21)15-9-22(20-18-15)10-16(23)17-11-6-12(24-2)8-13(7-11)25-3/h4-9H,10H2,1-3H3,(H,17,23)
InChIKeyNGGCHLRLRFVNMW-UHFFFAOYSA-N
XLogP1.33
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(3,5-dimethoxyphenyl)-2-[4-(1-methylpyrazol-3-yl)triazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 9096694
N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508187
2-[1-[2-(4-methoxyanilino)-2-oxoethyl]triazol-4-yl]acetic acid
CID 107461336
2-(4-formyltriazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 66214781
2-[4-(4-methoxyphenyl)triazol-1-yl]-N-methylacetamide
CID 155020377
N-benzyl-2-[4-(3,5-dimethoxyphenyl)triazol-1-yl]acetamide
CID 122193651
methyl 1-[2-(4-acetamidoanilino)-2-oxoethyl]triazole-4-carboxylate
CID 122241471
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 80742697
N-(5-fluoro-2-pyridinyl)-2-[4-(5-methoxy-2-methylphenyl)triazol-1-yl]acetamide
CID 167957587
2-(4-methoxyphenoxy)-N-(1-methylpyrazol-3-yl)acetamide
CID 51228906
N-(3,5-dimethoxyphenyl)-2-(4-imidazol-1-ylphenoxy)acetamide
CID 4881019
ethyl 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate
CID 122241516

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[4-(1-methylpyrazol-3-yl)triazol-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[4-(1-methylpyrazol-3-yl)triazol-1-yl]acetamide (CID 146137813) is N-(3,5-dimethoxyphenyl)-2-[4-(1-methylpyrazol-3-yl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[4-(1-methylpyrazol-3-yl)triazol-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[4-(1-methylpyrazol-3-yl)triazol-1-yl]acetamide is COc1cc(NC(=O)Cn2cc(-c3ccn(C)n3)nn2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[4-(1-methylpyrazol-3-yl)triazol-1-yl]acetamide?
The InChIKey is NGGCHLRLRFVNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-21-5-4-14(19-21)15-9-22(20-18-15)10-16(23)17-11-6-12(24-2)8-13(7-11)25-3/h4-9H,10H2,1-3H3,(H,17,23).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[4-(1-methylpyrazol-3-yl)triazol-1-yl]acetamide?
N-(3,5-dimethoxyphenyl)-2-[4-(1-methylpyrazol-3-yl)triazol-1-yl]acetamide has a molecular weight of 342.36 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[4-(1-methylpyrazol-3-yl)triazol-1-yl]acetamide is sourced from PubChem (CID 146137813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).