N-methyl-N-(1H-pyrazol-5-ylmethyl)oxetan-2-amine

C8H13N3O — CID 172858580

IUPACN-methyl-N-(1H-pyrazol-5-ylmethyl)oxetan-2-amine
SMILESCN(Cc1ccn[nH]1)C1CCO1
InChIInChI=1S/C8H13N3O/c1-11(8-3-5-12-8)6-7-2-4-9-10-7/h2,4,8H,3,5-6H2,1H3,(H,9,10)
InChIKeyZAVRTYYUXJRYBZ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.59
Rot. Bonds3

About N-methyl-N-(1H-pyrazol-5-ylmethyl)oxetan-2-amine

N-methyl-N-(1H-pyrazol-5-ylmethyl)oxetan-2-amine (PubChem CID 172858580) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-methyl-N-(1H-pyrazol-5-ylmethyl)oxetan-2-amine.

Molecular Properties

Compound NameN-methyl-N-(1H-pyrazol-5-ylmethyl)oxetan-2-amine
PubChem CID172858580
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-methyl-N-(1H-pyrazol-5-ylmethyl)oxetan-2-amine
SMILESCN(Cc1ccn[nH]1)C1CCO1
InChIInChI=1S/C8H13N3O/c1-11(8-3-5-12-8)6-7-2-4-9-10-7/h2,4,8H,3,5-6H2,1H3,(H,9,10)
InChIKeyZAVRTYYUXJRYBZ-UHFFFAOYSA-N
XLogP0.59
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1H-pyrazol-5-ylmethyl)oxetan-2-amine?
The IUPAC name of N-methyl-N-(1H-pyrazol-5-ylmethyl)oxetan-2-amine (CID 172858580) is N-methyl-N-(1H-pyrazol-5-ylmethyl)oxetan-2-amine.
What is the SMILES notation for N-methyl-N-(1H-pyrazol-5-ylmethyl)oxetan-2-amine?
The canonical SMILES for N-methyl-N-(1H-pyrazol-5-ylmethyl)oxetan-2-amine is CN(Cc1ccn[nH]1)C1CCO1.
What is the InChIKey of N-methyl-N-(1H-pyrazol-5-ylmethyl)oxetan-2-amine?
The InChIKey is ZAVRTYYUXJRYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-11(8-3-5-12-8)6-7-2-4-9-10-7/h2,4,8H,3,5-6H2,1H3,(H,9,10).
What are the key properties of N-methyl-N-(1H-pyrazol-5-ylmethyl)oxetan-2-amine?
N-methyl-N-(1H-pyrazol-5-ylmethyl)oxetan-2-amine has a molecular weight of 167.21 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1H-pyrazol-5-ylmethyl)oxetan-2-amine is sourced from PubChem (CID 172858580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).