2-cyano-N-(5-methyl-1H-pyrazol-3-yl)acetamide

C7H8N4O — CID 82668146

IUPAC2-cyano-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CC#N)n[nH]1
InChIInChI=1S/C7H8N4O/c1-5-4-6(11-10-5)9-7(12)2-3-8/h4H,2H2,1H3,(H2,9,10,11,12)
InChIKeyKMLORVJBYYJPTN-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.57
Rot. Bonds2

About 2-cyano-N-(5-methyl-1H-pyrazol-3-yl)acetamide

2-cyano-N-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 82668146) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 2-cyano-N-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID82668146
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name2-cyano-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CC#N)n[nH]1
InChIInChI=1S/C7H8N4O/c1-5-4-6(11-10-5)9-7(12)2-3-8/h4H,2H2,1H3,(H2,9,10,11,12)
InChIKeyKMLORVJBYYJPTN-UHFFFAOYSA-N
XLogP0.57
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
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CID 63820066
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N-(5-methyl-1H-pyrazol-3-yl)-2-(oxetan-3-yl)acetamide
CID 112524720
2-(1-hydroxycyclopentyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-cyano-N-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 82668146) is 2-cyano-N-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-cyano-N-(5-methyl-1H-pyrazol-3-yl)acetamide is Cc1cc(NC(=O)CC#N)n[nH]1.
What is the InChIKey of 2-cyano-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is KMLORVJBYYJPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-5-4-6(11-10-5)9-7(12)2-3-8/h4H,2H2,1H3,(H2,9,10,11,12).
What are the key properties of 2-cyano-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
2-cyano-N-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 164.17 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 82668146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).