N,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide

C11H20N4O — CID 115607331

IUPACN,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide
SMILESCC(C)C(NCc1ccn[nH]1)C(=O)N(C)C
InChIInChI=1S/C11H20N4O/c1-8(2)10(11(16)15(3)4)12-7-9-5-6-13-14-9/h5-6,8,10,12H,7H2,1-4H3,(H,13,14)
InChIKeyZJZIYTHDGCQPAT-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.61
Rot. Bonds5

About N,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide

N,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide (PubChem CID 115607331) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide.

Molecular Properties

Compound NameN,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide
PubChem CID115607331
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide
SMILESCC(C)C(NCc1ccn[nH]1)C(=O)N(C)C
InChIInChI=1S/C11H20N4O/c1-8(2)10(11(16)15(3)4)12-7-9-5-6-13-14-9/h5-6,8,10,12H,7H2,1-4H3,(H,13,14)
InChIKeyZJZIYTHDGCQPAT-UHFFFAOYSA-N
XLogP0.61
TPSA61.02 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 ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide?
The IUPAC name of N,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide (CID 115607331) is N,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide.
What is the SMILES notation for N,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide?
The canonical SMILES for N,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide is CC(C)C(NCc1ccn[nH]1)C(=O)N(C)C.
What is the InChIKey of N,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide?
The InChIKey is ZJZIYTHDGCQPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)10(11(16)15(3)4)12-7-9-5-6-13-14-9/h5-6,8,10,12H,7H2,1-4H3,(H,13,14).
What are the key properties of N,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide?
N,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide has a molecular weight of 224.31 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide is sourced from PubChem (CID 115607331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).