2-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)butanamide

C9H16N4O2 — CID 62473591

IUPAC2-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)butanamide
SMILESCOCCC(N)C(=O)NCc1cn[nH]c1
InChIInChI=1S/C9H16N4O2/c1-15-3-2-8(10)9(14)11-4-7-5-12-13-6-7/h5-6,8H,2-4,10H2,1H3,(H,11,14)(H,12,13)
InChIKeyWPTWBIICZBDZLC-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.61
Rot. Bonds6

About 2-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)butanamide

2-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)butanamide (PubChem CID 62473591) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)butanamide
PubChem CID62473591
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)butanamide
SMILESCOCCC(N)C(=O)NCc1cn[nH]c1
InChIInChI=1S/C9H16N4O2/c1-15-3-2-8(10)9(14)11-4-7-5-12-13-6-7/h5-6,8H,2-4,10H2,1H3,(H,11,14)(H,12,13)
InChIKeyWPTWBIICZBDZLC-UHFFFAOYSA-N
XLogP-0.61
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)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 2-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)butanamide?
The IUPAC name of 2-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)butanamide (CID 62473591) is 2-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)butanamide is COCCC(N)C(=O)NCc1cn[nH]c1.
What is the InChIKey of 2-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)butanamide?
The InChIKey is WPTWBIICZBDZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-15-3-2-8(10)9(14)11-4-7-5-12-13-6-7/h5-6,8H,2-4,10H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 2-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)butanamide?
2-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)butanamide has a molecular weight of 212.25 g/mol, XLogP of -0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)butanamide is sourced from PubChem (CID 62473591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).