2-[(1-methylpyrazol-3-yl)amino]-N-pentan-2-ylacetamide

C11H20N4O — CID 79778666

IUPAC2-[(1-methylpyrazol-3-yl)amino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNc1ccn(C)n1
InChIInChI=1S/C11H20N4O/c1-4-5-9(2)13-11(16)8-12-10-6-7-15(3)14-10/h6-7,9H,4-5,8H2,1-3H3,(H,12,14)(H,13,16)
InChIKeyAORPLKCKONPSQQ-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.14
Rot. Bonds6

About 2-[(1-methylpyrazol-3-yl)amino]-N-pentan-2-ylacetamide

2-[(1-methylpyrazol-3-yl)amino]-N-pentan-2-ylacetamide (PubChem CID 79778666) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-3-yl)amino]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[(1-methylpyrazol-3-yl)amino]-N-pentan-2-ylacetamide
PubChem CID79778666
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[(1-methylpyrazol-3-yl)amino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNc1ccn(C)n1
InChIInChI=1S/C11H20N4O/c1-4-5-9(2)13-11(16)8-12-10-6-7-15(3)14-10/h6-7,9H,4-5,8H2,1-3H3,(H,12,14)(H,13,16)
InChIKeyAORPLKCKONPSQQ-UHFFFAOYSA-N
XLogP1.14
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-3-yl)amino]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[(1-methylpyrazol-3-yl)amino]-N-pentan-2-ylacetamide (CID 79778666) is 2-[(1-methylpyrazol-3-yl)amino]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[(1-methylpyrazol-3-yl)amino]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[(1-methylpyrazol-3-yl)amino]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CNc1ccn(C)n1.
What is the InChIKey of 2-[(1-methylpyrazol-3-yl)amino]-N-pentan-2-ylacetamide?
The InChIKey is AORPLKCKONPSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-5-9(2)13-11(16)8-12-10-6-7-15(3)14-10/h6-7,9H,4-5,8H2,1-3H3,(H,12,14)(H,13,16).
What are the key properties of 2-[(1-methylpyrazol-3-yl)amino]-N-pentan-2-ylacetamide?
2-[(1-methylpyrazol-3-yl)amino]-N-pentan-2-ylacetamide has a molecular weight of 224.31 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-3-yl)amino]-N-pentan-2-ylacetamide is sourced from PubChem (CID 79778666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).