2-(methylamino)-3-(4-methylpyrazol-1-yl)butanamide

C9H16N4O — CID 165486221

IUPAC2-(methylamino)-3-(4-methylpyrazol-1-yl)butanamide
SMILESCNC(C(N)=O)C(C)n1cc(C)cn1
InChIInChI=1S/C9H16N4O/c1-6-4-12-13(5-6)7(2)8(11-3)9(10)14/h4-5,7-8,11H,1-3H3,(H2,10,14)
InChIKeyVWSPBVOWHIZXOM-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.17
Rot. Bonds4

About 2-(methylamino)-3-(4-methylpyrazol-1-yl)butanamide

2-(methylamino)-3-(4-methylpyrazol-1-yl)butanamide (PubChem CID 165486221) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(methylamino)-3-(4-methylpyrazol-1-yl)butanamide.

Molecular Properties

Compound Name2-(methylamino)-3-(4-methylpyrazol-1-yl)butanamide
PubChem CID165486221
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-(methylamino)-3-(4-methylpyrazol-1-yl)butanamide
SMILESCNC(C(N)=O)C(C)n1cc(C)cn1
InChIInChI=1S/C9H16N4O/c1-6-4-12-13(5-6)7(2)8(11-3)9(10)14/h4-5,7-8,11H,1-3H3,(H2,10,14)
InChIKeyVWSPBVOWHIZXOM-UHFFFAOYSA-N
XLogP-0.17
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-(4-methylpyrazol-1-yl)butanamide?
The IUPAC name of 2-(methylamino)-3-(4-methylpyrazol-1-yl)butanamide (CID 165486221) is 2-(methylamino)-3-(4-methylpyrazol-1-yl)butanamide.
What is the SMILES notation for 2-(methylamino)-3-(4-methylpyrazol-1-yl)butanamide?
The canonical SMILES for 2-(methylamino)-3-(4-methylpyrazol-1-yl)butanamide is CNC(C(N)=O)C(C)n1cc(C)cn1.
What is the InChIKey of 2-(methylamino)-3-(4-methylpyrazol-1-yl)butanamide?
The InChIKey is VWSPBVOWHIZXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6-4-12-13(5-6)7(2)8(11-3)9(10)14/h4-5,7-8,11H,1-3H3,(H2,10,14).
What are the key properties of 2-(methylamino)-3-(4-methylpyrazol-1-yl)butanamide?
2-(methylamino)-3-(4-methylpyrazol-1-yl)butanamide has a molecular weight of 196.25 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-(4-methylpyrazol-1-yl)butanamide is sourced from PubChem (CID 165486221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).