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

C9H12N4O — CID 2805535

IUPAC2-cyano-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CC#N
InChIInChI=1S/C9H12N4O/c1-6-9(7(2)13(3)12-6)11-8(14)4-5-10/h4H2,1-3H3,(H,11,14)
InChIKeyGCDMTIQQHYQVGI-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.89
Rot. Bonds2

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

2-cyano-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 2805535) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-cyano-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID2805535
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-cyano-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CC#N
InChIInChI=1S/C9H12N4O/c1-6-9(7(2)13(3)12-6)11-8(14)4-5-10/h4H2,1-3H3,(H,11,14)
InChIKeyGCDMTIQQHYQVGI-UHFFFAOYSA-N
XLogP0.89
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 2805537
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CID 50975736
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CID 177680881
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CID 745532
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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-cyano-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 2805535) is 2-cyano-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-cyano-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)CC#N.
What is the InChIKey of 2-cyano-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is GCDMTIQQHYQVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-6-9(7(2)13(3)12-6)11-8(14)4-5-10/h4H2,1-3H3,(H,11,14).
What are the key properties of 2-cyano-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-cyano-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 192.22 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 2805535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).