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

C9H16N4O — CID 90010571

IUPAC2-(4-amino-3-methylpyrazol-1-yl)-2-methylbutanamide
SMILESCCC(C)(C(N)=O)n1cc(N)c(C)n1
InChIInChI=1S/C9H16N4O/c1-4-9(3,8(11)14)13-5-7(10)6(2)12-13/h5H,4,10H2,1-3H3,(H2,11,14)
InChIKeyZKVFETVQWKHBOV-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.38
Rot. Bonds3

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

2-(4-amino-3-methylpyrazol-1-yl)-2-methylbutanamide (PubChem CID 90010571) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(4-amino-3-methylpyrazol-1-yl)-2-methylbutanamide.

Molecular Properties

Compound Name2-(4-amino-3-methylpyrazol-1-yl)-2-methylbutanamide
PubChem CID90010571
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-(4-amino-3-methylpyrazol-1-yl)-2-methylbutanamide
SMILESCCC(C)(C(N)=O)n1cc(N)c(C)n1
InChIInChI=1S/C9H16N4O/c1-4-9(3,8(11)14)13-5-7(10)6(2)12-13/h5H,4,10H2,1-3H3,(H2,11,14)
InChIKeyZKVFETVQWKHBOV-UHFFFAOYSA-N
XLogP0.38
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.38
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-methylbutanamide?
The IUPAC name of 2-(4-amino-3-methylpyrazol-1-yl)-2-methylbutanamide (CID 90010571) is 2-(4-amino-3-methylpyrazol-1-yl)-2-methylbutanamide.
What is the SMILES notation for 2-(4-amino-3-methylpyrazol-1-yl)-2-methylbutanamide?
The canonical SMILES for 2-(4-amino-3-methylpyrazol-1-yl)-2-methylbutanamide is CCC(C)(C(N)=O)n1cc(N)c(C)n1.
What is the InChIKey of 2-(4-amino-3-methylpyrazol-1-yl)-2-methylbutanamide?
The InChIKey is ZKVFETVQWKHBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-4-9(3,8(11)14)13-5-7(10)6(2)12-13/h5H,4,10H2,1-3H3,(H2,11,14).
What are the key properties of 2-(4-amino-3-methylpyrazol-1-yl)-2-methylbutanamide?
2-(4-amino-3-methylpyrazol-1-yl)-2-methylbutanamide has a molecular weight of 196.25 g/mol, XLogP of 0.38, 3 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-methylbutanamide is sourced from PubChem (CID 90010571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).