3-methyl-N-(1H-pyrazol-5-ylmethyl)oxan-4-amine

C10H17N3O — CID 130173693

IUPAC3-methyl-N-(1H-pyrazol-5-ylmethyl)oxan-4-amine
SMILESCC1COCCC1NCc1ccn[nH]1
InChIInChI=1S/C10H17N3O/c1-8-7-14-5-3-10(8)11-6-9-2-4-12-13-9/h2,4,8,10-11H,3,5-7H2,1H3,(H,12,13)
InChIKeyWVBBUFJVQLJKTK-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.92
Rot. Bonds3

About 3-methyl-N-(1H-pyrazol-5-ylmethyl)oxan-4-amine

3-methyl-N-(1H-pyrazol-5-ylmethyl)oxan-4-amine (PubChem CID 130173693) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-methyl-N-(1H-pyrazol-5-ylmethyl)oxan-4-amine.

Molecular Properties

Compound Name3-methyl-N-(1H-pyrazol-5-ylmethyl)oxan-4-amine
PubChem CID130173693
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-methyl-N-(1H-pyrazol-5-ylmethyl)oxan-4-amine
SMILESCC1COCCC1NCc1ccn[nH]1
InChIInChI=1S/C10H17N3O/c1-8-7-14-5-3-10(8)11-6-9-2-4-12-13-9/h2,4,8,10-11H,3,5-7H2,1H3,(H,12,13)
InChIKeyWVBBUFJVQLJKTK-UHFFFAOYSA-N
XLogP0.92
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1H-pyrazol-5-ylmethyl)oxan-4-amine?
The IUPAC name of 3-methyl-N-(1H-pyrazol-5-ylmethyl)oxan-4-amine (CID 130173693) is 3-methyl-N-(1H-pyrazol-5-ylmethyl)oxan-4-amine.
What is the SMILES notation for 3-methyl-N-(1H-pyrazol-5-ylmethyl)oxan-4-amine?
The canonical SMILES for 3-methyl-N-(1H-pyrazol-5-ylmethyl)oxan-4-amine is CC1COCCC1NCc1ccn[nH]1.
What is the InChIKey of 3-methyl-N-(1H-pyrazol-5-ylmethyl)oxan-4-amine?
The InChIKey is WVBBUFJVQLJKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8-7-14-5-3-10(8)11-6-9-2-4-12-13-9/h2,4,8,10-11H,3,5-7H2,1H3,(H,12,13).
What are the key properties of 3-methyl-N-(1H-pyrazol-5-ylmethyl)oxan-4-amine?
3-methyl-N-(1H-pyrazol-5-ylmethyl)oxan-4-amine has a molecular weight of 195.27 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1H-pyrazol-5-ylmethyl)oxan-4-amine is sourced from PubChem (CID 130173693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).