3-amino-2,2,3-trimethyl-N-(1-methylpyrazol-4-yl)butanamide

C11H20N4O — CID 65264942

IUPAC3-amino-2,2,3-trimethyl-N-(1-methylpyrazol-4-yl)butanamide
SMILESCn1cc(NC(=O)C(C)(C)C(C)(C)N)cn1
InChIInChI=1S/C11H20N4O/c1-10(2,11(3,4)12)9(16)14-8-6-13-15(5)7-8/h6-7H,12H2,1-5H3,(H,14,16)
InChIKeyWZUXGJHODFRPPE-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.12
Rot. Bonds3

About 3-amino-2,2,3-trimethyl-N-(1-methylpyrazol-4-yl)butanamide

3-amino-2,2,3-trimethyl-N-(1-methylpyrazol-4-yl)butanamide (PubChem CID 65264942) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-N-(1-methylpyrazol-4-yl)butanamide.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-N-(1-methylpyrazol-4-yl)butanamide
PubChem CID65264942
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-amino-2,2,3-trimethyl-N-(1-methylpyrazol-4-yl)butanamide
SMILESCn1cc(NC(=O)C(C)(C)C(C)(C)N)cn1
InChIInChI=1S/C11H20N4O/c1-10(2,11(3,4)12)9(16)14-8-6-13-15(5)7-8/h6-7H,12H2,1-5H3,(H,14,16)
InChIKeyWZUXGJHODFRPPE-UHFFFAOYSA-N
XLogP1.12
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethyl-N-(1-methylpyrazol-4-yl)butanamide?
The IUPAC name of 3-amino-2,2,3-trimethyl-N-(1-methylpyrazol-4-yl)butanamide (CID 65264942) is 3-amino-2,2,3-trimethyl-N-(1-methylpyrazol-4-yl)butanamide.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-N-(1-methylpyrazol-4-yl)butanamide?
The canonical SMILES for 3-amino-2,2,3-trimethyl-N-(1-methylpyrazol-4-yl)butanamide is Cn1cc(NC(=O)C(C)(C)C(C)(C)N)cn1.
What is the InChIKey of 3-amino-2,2,3-trimethyl-N-(1-methylpyrazol-4-yl)butanamide?
The InChIKey is WZUXGJHODFRPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-10(2,11(3,4)12)9(16)14-8-6-13-15(5)7-8/h6-7H,12H2,1-5H3,(H,14,16).
What are the key properties of 3-amino-2,2,3-trimethyl-N-(1-methylpyrazol-4-yl)butanamide?
3-amino-2,2,3-trimethyl-N-(1-methylpyrazol-4-yl)butanamide has a molecular weight of 224.31 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,3-trimethyl-N-(1-methylpyrazol-4-yl)butanamide is sourced from PubChem (CID 65264942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).