2-[4-(2,5-dimethoxyphenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide

C16H18N6O3 — CID 46996270

IUPAC2-[4-(2,5-dimethoxyphenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide
SMILESCOc1ccc(OC)c(-c2cnn(CC(=O)Nc3cn(C)nn3)c2)c1
InChIInChI=1S/C16H18N6O3/c1-21-9-15(19-20-21)18-16(23)10-22-8-11(7-17-22)13-6-12(24-2)4-5-14(13)25-3/h4-9H,10H2,1-3H3,(H,18,23)
InChIKeyPRKOEEVVAPXYSL-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.33
Rot. Bonds6

About 2-[4-(2,5-dimethoxyphenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide

2-[4-(2,5-dimethoxyphenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide (PubChem CID 46996270) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-[4-(2,5-dimethoxyphenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2,5-dimethoxyphenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide
PubChem CID46996270
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Name2-[4-(2,5-dimethoxyphenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide
SMILESCOc1ccc(OC)c(-c2cnn(CC(=O)Nc3cn(C)nn3)c2)c1
InChIInChI=1S/C16H18N6O3/c1-21-9-15(19-20-21)18-16(23)10-22-8-11(7-17-22)13-6-12(24-2)4-5-14(13)25-3/h4-9H,10H2,1-3H3,(H,18,23)
InChIKeyPRKOEEVVAPXYSL-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

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Related Compounds

2-[4-(2,5-dimethoxyphenyl)pyrazol-1-yl]acetic acid
CID 82121885
2-[4-(2-fluorophenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide
CID 46993505
2-(4-aminopyrazol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 43445334
2-[4-[5-(hydroxymethyl)-2-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 171919853
2-(4-acetamidotriazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 112521508
N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide
CID 112520798
methyl 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate
CID 122241487
N-(5-fluoro-2-pyridinyl)-2-[4-(5-methoxy-2-methylphenyl)triazol-1-yl]acetamide
CID 167957587
2-(4-acetamidotriazol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112522032
2-methoxy-N-(1-methyltriazol-4-yl)benzamide
CID 112535372
N-[1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112520800
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
CID 8873123

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethoxyphenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide?
The IUPAC name of 2-[4-(2,5-dimethoxyphenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide (CID 46996270) is 2-[4-(2,5-dimethoxyphenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide.
What is the SMILES notation for 2-[4-(2,5-dimethoxyphenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide?
The canonical SMILES for 2-[4-(2,5-dimethoxyphenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide is COc1ccc(OC)c(-c2cnn(CC(=O)Nc3cn(C)nn3)c2)c1.
What is the InChIKey of 2-[4-(2,5-dimethoxyphenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide?
The InChIKey is PRKOEEVVAPXYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-21-9-15(19-20-21)18-16(23)10-22-8-11(7-17-22)13-6-12(24-2)4-5-14(13)25-3/h4-9H,10H2,1-3H3,(H,18,23).
What are the key properties of 2-[4-(2,5-dimethoxyphenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide?
2-[4-(2,5-dimethoxyphenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-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 2-[4-(2,5-dimethoxyphenyl)pyrazol-1-yl]-N-(1-methyltriazol-4-yl)acetamide is sourced from PubChem (CID 46996270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).