2-(2-methylpyrazol-3-yl)-N-prop-2-ynylacetamide

C9H11N3O — CID 130683204

IUPAC2-(2-methylpyrazol-3-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)Cc1ccnn1C
InChIInChI=1S/C9H11N3O/c1-3-5-10-9(13)7-8-4-6-11-12(8)2/h1,4,6H,5,7H2,2H3,(H,10,13)
InChIKeyOJMAHHMKZIOUKR-UHFFFAOYSA-N
MW177.21 g/mol
LogP-0.29
Rot. Bonds3

About 2-(2-methylpyrazol-3-yl)-N-prop-2-ynylacetamide

2-(2-methylpyrazol-3-yl)-N-prop-2-ynylacetamide (PubChem CID 130683204) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)-N-prop-2-ynylacetamide
PubChem CID130683204
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2-(2-methylpyrazol-3-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)Cc1ccnn1C
InChIInChI=1S/C9H11N3O/c1-3-5-10-9(13)7-8-4-6-11-12(8)2/h1,4,6H,5,7H2,2H3,(H,10,13)
InChIKeyOJMAHHMKZIOUKR-UHFFFAOYSA-N
XLogP-0.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazol-3-yl)-N-prop-2-ynylacetamide?
The IUPAC name of 2-(2-methylpyrazol-3-yl)-N-prop-2-ynylacetamide (CID 130683204) is 2-(2-methylpyrazol-3-yl)-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)-N-prop-2-ynylacetamide?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)-N-prop-2-ynylacetamide is C#CCNC(=O)Cc1ccnn1C.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)-N-prop-2-ynylacetamide?
The InChIKey is OJMAHHMKZIOUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-3-5-10-9(13)7-8-4-6-11-12(8)2/h1,4,6H,5,7H2,2H3,(H,10,13).
What are the key properties of 2-(2-methylpyrazol-3-yl)-N-prop-2-ynylacetamide?
2-(2-methylpyrazol-3-yl)-N-prop-2-ynylacetamide has a molecular weight of 177.21 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)-N-prop-2-ynylacetamide is sourced from PubChem (CID 130683204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).