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

C8H13N3O — CID 41031989

IUPAC2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(N)=O
InChIInChI=1S/C8H13N3O/c1-5-7(4-8(9)12)6(2)11(3)10-5/h4H2,1-3H3,(H2,9,12)
InChIKeyJQSGNNVZAVLVHV-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.06
Rot. Bonds2

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

2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 41031989) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID41031989
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(N)=O
InChIInChI=1S/C8H13N3O/c1-5-7(4-8(9)12)6(2)11(3)10-5/h4H2,1-3H3,(H2,9,12)
InChIKeyJQSGNNVZAVLVHV-UHFFFAOYSA-N
XLogP0.06
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide
CID 7131333
N-(dicyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30757353
N-(1-methoxypropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43044813
N,N-diethyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 45862482
N-methoxy-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 45862504
N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanecarboxamide
CID 47452820
1-(4-Propyl-1,4-diazepan-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 56822440
1-[2-(1,3,5-Trimethylpyrazol-4-yl)acetyl]piperidine-3-carboxamide
CID 71899340
2,5-dimethyl-4-trifluoromethyl-2H-pyrazole-3-carboxylic acid amide
CID 57574505
1,4-Dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 121456565
2-(5-Fluoro-1,3-dimethylpyrazol-4-yl)acetamide
CID 139844159
2,4-Dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 141469888

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 41031989) is 2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(N)=O.
What is the InChIKey of 2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is JQSGNNVZAVLVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5-7(4-8(9)12)6(2)11(3)10-5/h4H2,1-3H3,(H2,9,12).
What are the key properties of 2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 167.21 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 41031989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).