1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-amine

C9H16N4O — CID 58043787

IUPAC1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-amine
SMILESCN(Cc1cc(N)nn1C)C1COC1
InChIInChI=1S/C9H16N4O/c1-12(8-5-14-6-8)4-7-3-9(10)11-13(7)2/h3,8H,4-6H2,1-2H3,(H2,10,11)
InChIKeyQOGPKUOORCGVGW-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.17
Rot. Bonds3

About 1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-amine

1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-amine (PubChem CID 58043787) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-amine
PubChem CID58043787
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-amine
SMILESCN(Cc1cc(N)nn1C)C1COC1
InChIInChI=1S/C9H16N4O/c1-12(8-5-14-6-8)4-7-3-9(10)11-13(7)2/h3,8H,4-6H2,1-2H3,(H2,10,11)
InChIKeyQOGPKUOORCGVGW-UHFFFAOYSA-N
XLogP-0.17
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-amine?
The IUPAC name of 1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-amine (CID 58043787) is 1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-amine.
What is the SMILES notation for 1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-amine?
The canonical SMILES for 1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-amine is CN(Cc1cc(N)nn1C)C1COC1.
What is the InChIKey of 1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-amine?
The InChIKey is QOGPKUOORCGVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-12(8-5-14-6-8)4-7-3-9(10)11-13(7)2/h3,8H,4-6H2,1-2H3,(H2,10,11).
What are the key properties of 1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-amine?
1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-amine has a molecular weight of 196.25 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-amine is sourced from PubChem (CID 58043787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).