4-amino-3-methoxy-N-(5-methyl-1H-pyrazol-3-yl)butanamide

C9H16N4O2 — CID 103155915

IUPAC4-amino-3-methoxy-N-(5-methyl-1H-pyrazol-3-yl)butanamide
SMILESCOC(CN)CC(=O)Nc1cc(C)[nH]n1
InChIInChI=1S/C9H16N4O2/c1-6-3-8(13-12-6)11-9(14)4-7(5-10)15-2/h3,7H,4-5,10H2,1-2H3,(H2,11,12,13,14)
InChIKeyWNDVOLGYVQFTCI-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.02
Rot. Bonds5

About 4-amino-3-methoxy-N-(5-methyl-1H-pyrazol-3-yl)butanamide

4-amino-3-methoxy-N-(5-methyl-1H-pyrazol-3-yl)butanamide (PubChem CID 103155915) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(5-methyl-1H-pyrazol-3-yl)butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(5-methyl-1H-pyrazol-3-yl)butanamide
PubChem CID103155915
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name4-amino-3-methoxy-N-(5-methyl-1H-pyrazol-3-yl)butanamide
SMILESCOC(CN)CC(=O)Nc1cc(C)[nH]n1
InChIInChI=1S/C9H16N4O2/c1-6-3-8(13-12-6)11-9(14)4-7(5-10)15-2/h3,7H,4-5,10H2,1-2H3,(H2,11,12,13,14)
InChIKeyWNDVOLGYVQFTCI-UHFFFAOYSA-N
XLogP0.02
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(5-methyl-1H-pyrazol-3-yl)butanamide?
The IUPAC name of 4-amino-3-methoxy-N-(5-methyl-1H-pyrazol-3-yl)butanamide (CID 103155915) is 4-amino-3-methoxy-N-(5-methyl-1H-pyrazol-3-yl)butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(5-methyl-1H-pyrazol-3-yl)butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-(5-methyl-1H-pyrazol-3-yl)butanamide is COC(CN)CC(=O)Nc1cc(C)[nH]n1.
What is the InChIKey of 4-amino-3-methoxy-N-(5-methyl-1H-pyrazol-3-yl)butanamide?
The InChIKey is WNDVOLGYVQFTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6-3-8(13-12-6)11-9(14)4-7(5-10)15-2/h3,7H,4-5,10H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-amino-3-methoxy-N-(5-methyl-1H-pyrazol-3-yl)butanamide?
4-amino-3-methoxy-N-(5-methyl-1H-pyrazol-3-yl)butanamide has a molecular weight of 212.25 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(5-methyl-1H-pyrazol-3-yl)butanamide is sourced from PubChem (CID 103155915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).