N-cyano-N-methyl-2-(2-methylpyrazol-3-yl)acetamide

C8H10N4O — CID 130621023

IUPACN-cyano-N-methyl-2-(2-methylpyrazol-3-yl)acetamide
SMILESCN(C#N)C(=O)Cc1ccnn1C
InChIInChI=1S/C8H10N4O/c1-11(6-9)8(13)5-7-3-4-10-12(7)2/h3-4H,5H2,1-2H3
InChIKeyIEYARBSAYDNUBF-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.10
Rot. Bonds2

About N-cyano-N-methyl-2-(2-methylpyrazol-3-yl)acetamide

N-cyano-N-methyl-2-(2-methylpyrazol-3-yl)acetamide (PubChem CID 130621023) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is N-cyano-N-methyl-2-(2-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-cyano-N-methyl-2-(2-methylpyrazol-3-yl)acetamide
PubChem CID130621023
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC NameN-cyano-N-methyl-2-(2-methylpyrazol-3-yl)acetamide
SMILESCN(C#N)C(=O)Cc1ccnn1C
InChIInChI=1S/C8H10N4O/c1-11(6-9)8(13)5-7-3-4-10-12(7)2/h3-4H,5H2,1-2H3
InChIKeyIEYARBSAYDNUBF-UHFFFAOYSA-N
XLogP-0.10
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19619342
2-(2-methylpyrazol-3-yl)-N-prop-2-ynylacetamide
CID 130683204
N-cyano-N-methyl-2-thiophen-2-ylacetamide
CID 131201372
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]methanesulfonamide
CID 119106360
ethane;(2-methylpyrazol-3-yl)methanol
CID 144625468
2-methyl-2-[methyl-[3-(2-methylpyrazol-3-yl)propanoyl]amino]propanoic acid
CID 120518879
2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005024
2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63302579
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
2-cyano-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 104693712
2-methyl-3-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]propanoic acid
CID 65067288
4-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]butan-2-ol
CID 115883105

Frequently Asked Questions

What is the IUPAC name of N-cyano-N-methyl-2-(2-methylpyrazol-3-yl)acetamide?
The IUPAC name of N-cyano-N-methyl-2-(2-methylpyrazol-3-yl)acetamide (CID 130621023) is N-cyano-N-methyl-2-(2-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for N-cyano-N-methyl-2-(2-methylpyrazol-3-yl)acetamide?
The canonical SMILES for N-cyano-N-methyl-2-(2-methylpyrazol-3-yl)acetamide is CN(C#N)C(=O)Cc1ccnn1C.
What is the InChIKey of N-cyano-N-methyl-2-(2-methylpyrazol-3-yl)acetamide?
The InChIKey is IEYARBSAYDNUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-11(6-9)8(13)5-7-3-4-10-12(7)2/h3-4H,5H2,1-2H3.
What are the key properties of N-cyano-N-methyl-2-(2-methylpyrazol-3-yl)acetamide?
N-cyano-N-methyl-2-(2-methylpyrazol-3-yl)acetamide has a molecular weight of 178.19 g/mol, XLogP of -0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N-methyl-2-(2-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 130621023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).