2-(aminomethyl)-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide

C11H20N4O — CID 114290739

IUPAC2-(aminomethyl)-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide
SMILESCCC(C)(CN)C(=O)N(C)Cc1cn[nH]c1
InChIInChI=1S/C11H20N4O/c1-4-11(2,8-12)10(16)15(3)7-9-5-13-14-6-9/h5-6H,4,7-8,12H2,1-3H3,(H,13,14)
InChIKeyLXHRMHCCICCDPX-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.74
Rot. Bonds5

About 2-(aminomethyl)-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide

2-(aminomethyl)-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide (PubChem CID 114290739) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide
PubChem CID114290739
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-(aminomethyl)-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide
SMILESCCC(C)(CN)C(=O)N(C)Cc1cn[nH]c1
InChIInChI=1S/C11H20N4O/c1-4-11(2,8-12)10(16)15(3)7-9-5-13-14-6-9/h5-6H,4,7-8,12H2,1-3H3,(H,13,14)
InChIKeyLXHRMHCCICCDPX-UHFFFAOYSA-N
XLogP0.74
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
The IUPAC name of 2-(aminomethyl)-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide (CID 114290739) is 2-(aminomethyl)-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide is CCC(C)(CN)C(=O)N(C)Cc1cn[nH]c1.
What is the InChIKey of 2-(aminomethyl)-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
The InChIKey is LXHRMHCCICCDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-11(2,8-12)10(16)15(3)7-9-5-13-14-6-9/h5-6H,4,7-8,12H2,1-3H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
2-(aminomethyl)-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide has a molecular weight of 224.31 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide is sourced from PubChem (CID 114290739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).