2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanamide

C8H14N4O — CID 69082882

IUPAC2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanamide
SMILESCc1nn(C(C)(C)C(N)=O)cc1N
InChIInChI=1S/C8H14N4O/c1-5-6(9)4-12(11-5)8(2,3)7(10)13/h4H,9H2,1-3H3,(H2,10,13)
InChIKeyBMEUVVBWFFGJLX-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.01
Rot. Bonds2

About 2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanamide

2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanamide (PubChem CID 69082882) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanamide
PubChem CID69082882
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanamide
SMILESCc1nn(C(C)(C)C(N)=O)cc1N
InChIInChI=1S/C8H14N4O/c1-5-6(9)4-12(11-5)8(2,3)7(10)13/h4H,9H2,1-3H3,(H2,10,13)
InChIKeyBMEUVVBWFFGJLX-UHFFFAOYSA-N
XLogP-0.01
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanamide?
The IUPAC name of 2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanamide (CID 69082882) is 2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanamide?
The canonical SMILES for 2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanamide is Cc1nn(C(C)(C)C(N)=O)cc1N.
What is the InChIKey of 2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanamide?
The InChIKey is BMEUVVBWFFGJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-5-6(9)4-12(11-5)8(2,3)7(10)13/h4H,9H2,1-3H3,(H2,10,13).
What are the key properties of 2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanamide?
2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanamide has a molecular weight of 182.23 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanamide is sourced from PubChem (CID 69082882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).