3-(3-amino-5-methylpyrazol-1-yl)-2-methylpropanamide

C8H14N4O — CID 130496612

IUPAC3-(3-amino-5-methylpyrazol-1-yl)-2-methylpropanamide
SMILESCc1cc(N)nn1CC(C)C(N)=O
InChIInChI=1S/C8H14N4O/c1-5(8(10)13)4-12-6(2)3-7(9)11-12/h3,5H,4H2,1-2H3,(H2,9,11)(H2,10,13)
InChIKeyTUZRVFKRRQWJCQ-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.10
Rot. Bonds3

About 3-(3-amino-5-methylpyrazol-1-yl)-2-methylpropanamide

3-(3-amino-5-methylpyrazol-1-yl)-2-methylpropanamide (PubChem CID 130496612) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-(3-amino-5-methylpyrazol-1-yl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(3-amino-5-methylpyrazol-1-yl)-2-methylpropanamide
PubChem CID130496612
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name3-(3-amino-5-methylpyrazol-1-yl)-2-methylpropanamide
SMILESCc1cc(N)nn1CC(C)C(N)=O
InChIInChI=1S/C8H14N4O/c1-5(8(10)13)4-12-6(2)3-7(9)11-12/h3,5H,4H2,1-2H3,(H2,9,11)(H2,10,13)
InChIKeyTUZRVFKRRQWJCQ-UHFFFAOYSA-N
XLogP-0.10
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-5-methylpyrazol-1-yl)-2-methylpropanamide?
The IUPAC name of 3-(3-amino-5-methylpyrazol-1-yl)-2-methylpropanamide (CID 130496612) is 3-(3-amino-5-methylpyrazol-1-yl)-2-methylpropanamide.
What is the SMILES notation for 3-(3-amino-5-methylpyrazol-1-yl)-2-methylpropanamide?
The canonical SMILES for 3-(3-amino-5-methylpyrazol-1-yl)-2-methylpropanamide is Cc1cc(N)nn1CC(C)C(N)=O.
What is the InChIKey of 3-(3-amino-5-methylpyrazol-1-yl)-2-methylpropanamide?
The InChIKey is TUZRVFKRRQWJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-5(8(10)13)4-12-6(2)3-7(9)11-12/h3,5H,4H2,1-2H3,(H2,9,11)(H2,10,13).
What are the key properties of 3-(3-amino-5-methylpyrazol-1-yl)-2-methylpropanamide?
3-(3-amino-5-methylpyrazol-1-yl)-2-methylpropanamide has a molecular weight of 182.23 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-5-methylpyrazol-1-yl)-2-methylpropanamide is sourced from PubChem (CID 130496612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).