2-(3,5-dimethylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C16H22N4O — CID 86908709

IUPAC2-(3,5-dimethylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1cc(C)cc(NCC(=O)Nc2c(C)nn(C)c2C)c1
InChIInChI=1S/C16H22N4O/c1-10-6-11(2)8-14(7-10)17-9-15(21)18-16-12(3)19-20(5)13(16)4/h6-8,17H,9H2,1-5H3,(H,18,21)
InChIKeyNJSVRXZEZDYPPE-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.70
Rot. Bonds4

About 2-(3,5-dimethylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-(3,5-dimethylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 86908709) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID86908709
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-(3,5-dimethylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1cc(C)cc(NCC(=O)Nc2c(C)nn(C)c2C)c1
InChIInChI=1S/C16H22N4O/c1-10-6-11(2)8-14(7-10)17-9-15(21)18-16-12(3)19-20(5)13(16)4/h6-8,17H,9H2,1-5H3,(H,18,21)
InChIKeyNJSVRXZEZDYPPE-UHFFFAOYSA-N
XLogP2.70
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-methylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86908844
2-[3-(trifluoromethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86908675
2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47006977
2-(naphthalen-1-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78815389
2-(prop-2-ynylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78912800
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60717287
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(3-methylanilino)acetamide
CID 78792945
3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110473196
(2R)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]propanoic acid
CID 83193828
2-(3,5-dimethylanilino)-N-phenylacetamide
CID 7636819
1-(4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 4885076
4-hydroxy-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide
CID 79192900

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(3,5-dimethylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 86908709) is 2-(3,5-dimethylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1cc(C)cc(NCC(=O)Nc2c(C)nn(C)c2C)c1.
What is the InChIKey of 2-(3,5-dimethylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is NJSVRXZEZDYPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-10-6-11(2)8-14(7-10)17-9-15(21)18-16-12(3)19-20(5)13(16)4/h6-8,17H,9H2,1-5H3,(H,18,21).
What are the key properties of 2-(3,5-dimethylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(3,5-dimethylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 86908709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).