2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide

C7H12N4O — CID 63302579

IUPAC2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide
SMILESCn1nccc1CNC(=O)CN
InChIInChI=1S/C7H12N4O/c1-11-6(2-3-10-11)5-9-7(12)4-8/h2-3H,4-5,8H2,1H3,(H,9,12)
InChIKeyAFOSARXQWQDBQO-UHFFFAOYSA-N
MW168.20 g/mol
LogP-1.00
Rot. Bonds3

About 2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide

2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide (PubChem CID 63302579) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide
PubChem CID63302579
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide
SMILESCn1nccc1CNC(=O)CN
InChIInChI=1S/C7H12N4O/c1-11-6(2-3-10-11)5-9-7(12)4-8/h2-3H,4-5,8H2,1H3,(H,9,12)
InChIKeyAFOSARXQWQDBQO-UHFFFAOYSA-N
XLogP-1.00
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide (CID 63302579) is 2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide is Cn1nccc1CNC(=O)CN.
What is the InChIKey of 2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The InChIKey is AFOSARXQWQDBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-11-6(2-3-10-11)5-9-7(12)4-8/h2-3H,4-5,8H2,1H3,(H,9,12).
What are the key properties of 2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide has a molecular weight of 168.20 g/mol, XLogP of -1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 63302579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).