2-[4-[3-(cyanomethyl)-4-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide

C16H18N4O2 — CID 175670326

IUPAC2-[4-[3-(cyanomethyl)-4-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide
SMILESCOc1ccc(-c2cnn(CC(=O)N(C)C)c2)cc1CC#N
InChIInChI=1S/C16H18N4O2/c1-19(2)16(21)11-20-10-14(9-18-20)12-4-5-15(22-3)13(8-12)6-7-17/h4-5,8-10H,6,11H2,1-3H3
InChIKeyZZVBARPUJHZGGB-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.71
Rot. Bonds5

About 2-[4-[3-(cyanomethyl)-4-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide

2-[4-[3-(cyanomethyl)-4-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide (PubChem CID 175670326) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[4-[3-(cyanomethyl)-4-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[3-(cyanomethyl)-4-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide
PubChem CID175670326
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-[4-[3-(cyanomethyl)-4-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide
SMILESCOc1ccc(-c2cnn(CC(=O)N(C)C)c2)cc1CC#N
InChIInChI=1S/C16H18N4O2/c1-19(2)16(21)11-20-10-14(9-18-20)12-4-5-15(22-3)13(8-12)6-7-17/h4-5,8-10H,6,11H2,1-3H3
InChIKeyZZVBARPUJHZGGB-UHFFFAOYSA-N
XLogP1.71
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-(cyanomethyl)-3-fluorophenyl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 175670183
2-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methoxyphenyl]acetonitrile
CID 175670329
2-[4-[5-(hydroxymethyl)-2-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 171919853
2-[4-[5-(cyanomethyl)-2-fluorophenyl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 175670115
2-(difluoromethoxy)-4-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzoic acid
CID 171382939
3-[4-(3-chloro-4-methoxyphenyl)pyrazol-1-yl]propanenitrile
CID 82121835
4-[1-(cyanomethyl)pyrazol-4-yl]-2-methoxybenzamide
CID 167809005
2-[4-(3-formyl-4-methoxy-5-methylphenyl)pyrazol-1-yl]-N,N-dimethylacetamide
CID 171919543
2-[4-(4-amino-2-cyanophenyl)pyrazol-1-yl]-N,N-dimethylacetamide
CID 171663223
2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]ethanol
CID 94267593
2-[4-(1-ethylsulfonylpyrazol-4-yl)-2-methoxyphenyl]acetonitrile
CID 175670365
2-[4-[2-cyano-5-(trifluoromethyl)phenyl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 172915492

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(cyanomethyl)-4-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[3-(cyanomethyl)-4-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide (CID 175670326) is 2-[4-[3-(cyanomethyl)-4-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[3-(cyanomethyl)-4-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[3-(cyanomethyl)-4-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide is COc1ccc(-c2cnn(CC(=O)N(C)C)c2)cc1CC#N.
What is the InChIKey of 2-[4-[3-(cyanomethyl)-4-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide?
The InChIKey is ZZVBARPUJHZGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-19(2)16(21)11-20-10-14(9-18-20)12-4-5-15(22-3)13(8-12)6-7-17/h4-5,8-10H,6,11H2,1-3H3.
What are the key properties of 2-[4-[3-(cyanomethyl)-4-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide?
2-[4-[3-(cyanomethyl)-4-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide has a molecular weight of 298.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(cyanomethyl)-4-methoxyphenyl]pyrazol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 175670326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).