2-(3-methylpyrazol-1-yl)-N-propan-2-ylacetamide

C9H15N3O — CID 19516884

IUPAC2-(3-methylpyrazol-1-yl)-N-propan-2-ylacetamide
SMILESCc1ccn(CC(=O)NC(C)C)n1
InChIInChI=1S/C9H15N3O/c1-7(2)10-9(13)6-12-5-4-8(3)11-12/h4-5,7H,6H2,1-3H3,(H,10,13)
InChIKeyWYBPAMSLIAPHFF-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.72
Rot. Bonds3

About 2-(3-methylpyrazol-1-yl)-N-propan-2-ylacetamide

2-(3-methylpyrazol-1-yl)-N-propan-2-ylacetamide (PubChem CID 19516884) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(3-methylpyrazol-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-methylpyrazol-1-yl)-N-propan-2-ylacetamide
PubChem CID19516884
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(3-methylpyrazol-1-yl)-N-propan-2-ylacetamide
SMILESCc1ccn(CC(=O)NC(C)C)n1
InChIInChI=1S/C9H15N3O/c1-7(2)10-9(13)6-12-5-4-8(3)11-12/h4-5,7H,6H2,1-3H3,(H,10,13)
InChIKeyWYBPAMSLIAPHFF-UHFFFAOYSA-N
XLogP0.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrazol-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-methylpyrazol-1-yl)-N-propan-2-ylacetamide (CID 19516884) is 2-(3-methylpyrazol-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-methylpyrazol-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-methylpyrazol-1-yl)-N-propan-2-ylacetamide is Cc1ccn(CC(=O)NC(C)C)n1.
What is the InChIKey of 2-(3-methylpyrazol-1-yl)-N-propan-2-ylacetamide?
The InChIKey is WYBPAMSLIAPHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(2)10-9(13)6-12-5-4-8(3)11-12/h4-5,7H,6H2,1-3H3,(H,10,13).
What are the key properties of 2-(3-methylpyrazol-1-yl)-N-propan-2-ylacetamide?
2-(3-methylpyrazol-1-yl)-N-propan-2-ylacetamide has a molecular weight of 181.24 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrazol-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 19516884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).