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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl((1H-pyrazol-3-yl)methyl)amine
CID 19614724
3-[2-cyanoethyl(1H-pyrazol-5-ylmethyl)amino]propanenitrile
CID 91661336
N-(1H-pyrazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63000735
2-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 103081272
N-(1H-pyrazol-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine;hydrochloride
CID 115607128
N-(1H-pyrazol-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 115607129
3-[1H-pyrazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 115882734
5-fluoro-1-(1H-pyrazol-5-ylmethyl)-3,6-dihydro-2H-pyridine
CID 126782198
6,6-difluoro-4-(1H-pyrazol-5-ylmethyl)-1,4-oxazepane
CID 126782300
5-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole
CID 126995014
N,N-Dimethyl(1H-pyrazol-3-yl)methanamine
CID 14799519
1-methyl-4-(1H-pyrazol-5-ylmethyl)piperazine
CID 20649688

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).