2-cyano-N-(1H-pyrazol-5-ylmethyl)acetamide

C7H8N4O — CID 131084161

IUPAC2-cyano-N-(1H-pyrazol-5-ylmethyl)acetamide
SMILESN#CCC(=O)NCc1ccn[nH]1
InChIInChI=1S/C7H8N4O/c8-3-1-7(12)9-5-6-2-4-10-11-6/h2,4H,1,5H2,(H,9,12)(H,10,11)
InChIKeyBXONZAHEVGLCBR-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.06
Rot. Bonds3

About 2-cyano-N-(1H-pyrazol-5-ylmethyl)acetamide

2-cyano-N-(1H-pyrazol-5-ylmethyl)acetamide (PubChem CID 131084161) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 2-cyano-N-(1H-pyrazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(1H-pyrazol-5-ylmethyl)acetamide
PubChem CID131084161
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name2-cyano-N-(1H-pyrazol-5-ylmethyl)acetamide
SMILESN#CCC(=O)NCc1ccn[nH]1
InChIInChI=1S/C7H8N4O/c8-3-1-7(12)9-5-6-2-4-10-11-6/h2,4H,1,5H2,(H,9,12)(H,10,11)
InChIKeyBXONZAHEVGLCBR-UHFFFAOYSA-N
XLogP-0.06
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxo-3-(1H-pyrazol-5-ylmethylamino)propanoic acid
CID 62232296
2-(2-cyanophenoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47285823
6-oxo-6-(1H-pyrazol-5-ylmethylamino)hexanoic acid
CID 61286078
5-chloro-N-(1H-pyrazol-5-ylmethyl)pentanamide
CID 61285695
2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47285808
2-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 61284127
3-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide
CID 114875503
2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 141430312
2,2-difluoro-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 103514034
4-iodo-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 47204233
2-(2,6-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 71683363
2-piperazin-1-yl-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 61283155

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1H-pyrazol-5-ylmethyl)acetamide?
The IUPAC name of 2-cyano-N-(1H-pyrazol-5-ylmethyl)acetamide (CID 131084161) is 2-cyano-N-(1H-pyrazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-cyano-N-(1H-pyrazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-cyano-N-(1H-pyrazol-5-ylmethyl)acetamide is N#CCC(=O)NCc1ccn[nH]1.
What is the InChIKey of 2-cyano-N-(1H-pyrazol-5-ylmethyl)acetamide?
The InChIKey is BXONZAHEVGLCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c8-3-1-7(12)9-5-6-2-4-10-11-6/h2,4H,1,5H2,(H,9,12)(H,10,11).
What are the key properties of 2-cyano-N-(1H-pyrazol-5-ylmethyl)acetamide?
2-cyano-N-(1H-pyrazol-5-ylmethyl)acetamide has a molecular weight of 164.17 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1H-pyrazol-5-ylmethyl)acetamide is sourced from PubChem (CID 131084161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).