2-pyrazol-1-ylacetamide

C5H7N3O — CID 14028978

IUPAC2-pyrazol-1-ylacetamide
SMILESNC(=O)Cn1cccn1
InChIInChI=1S/C5H7N3O/c6-5(9)4-8-3-1-2-7-8/h1-3H,4H2,(H2,6,9)
InChIKeyPTGHHGHHFPDNBR-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.63
Rot. Bonds2

About 2-pyrazol-1-ylacetamide

2-pyrazol-1-ylacetamide (PubChem CID 14028978) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 2-pyrazol-1-ylacetamide.

Molecular Properties

Compound Name2-pyrazol-1-ylacetamide
PubChem CID14028978
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name2-pyrazol-1-ylacetamide
SMILESNC(=O)Cn1cccn1
InChIInChI=1S/C5H7N3O/c6-5(9)4-8-3-1-2-7-8/h1-3H,4H2,(H2,6,9)
InChIKeyPTGHHGHHFPDNBR-UHFFFAOYSA-N
XLogP-0.63
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-Pyrazol-1-yl)ethanone
CID 549278
2-(1H-pyrazol-1-yl)ethan-1-amine
CID 1133022
1-(1H-pyrazol-1-yl)propan-2-one
CID 5155003
2-(1H-Pyrazol-1-yl)acetohydrazide
CID 17024596
2-(4-amino-1H-pyrazol-1-yl)acetamide
CID 28373947
2-(3-amino-1H-pyrazol-1-yl)acetamide
CID 45791969
3-(1H-pyrazol-1-yl)propan-1-amine
CID 7023140
N-Methyl-1H-pyrazole-1-ethanamine
CID 23006101
2-(4-amino-1H-pyrazol-1-yl)-N,N-dimethylacetamide
CID 28280666
2-(3-amino-1H-pyrazol-1-yl)-N,N-dimethylacetamide
CID 47003138
2-(3-amino-1H-pyrazol-1-yl)-N-methylacetamide
CID 60783095
3-(1H-pyrazol-1-yl)propanamide
CID 14088731

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylacetamide?
The IUPAC name of 2-pyrazol-1-ylacetamide (CID 14028978) is 2-pyrazol-1-ylacetamide.
What is the SMILES notation for 2-pyrazol-1-ylacetamide?
The canonical SMILES for 2-pyrazol-1-ylacetamide is NC(=O)Cn1cccn1.
What is the InChIKey of 2-pyrazol-1-ylacetamide?
The InChIKey is PTGHHGHHFPDNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c6-5(9)4-8-3-1-2-7-8/h1-3H,4H2,(H2,6,9).
What are the key properties of 2-pyrazol-1-ylacetamide?
2-pyrazol-1-ylacetamide has a molecular weight of 125.13 g/mol, XLogP of -0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylacetamide is sourced from PubChem (CID 14028978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).