1-(1-benzylpyrazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine

C16H21N3O — CID 78957130

IUPAC1-(1-benzylpyrazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
SMILESCC1(CNCc2cnn(Cc3ccccc3)c2)COC1
InChIInChI=1S/C16H21N3O/c1-16(12-20-13-16)11-17-7-15-8-18-19(10-15)9-14-5-3-2-4-6-14/h2-6,8,10,17H,7,9,11-13H2,1H3
InChIKeyFWSNTYDASXTNOY-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.06
Rot. Bonds6

About 1-(1-benzylpyrazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine

1-(1-benzylpyrazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine (PubChem CID 78957130) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(1-benzylpyrazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-benzylpyrazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
PubChem CID78957130
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(1-benzylpyrazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
SMILESCC1(CNCc2cnn(Cc3ccccc3)c2)COC1
InChIInChI=1S/C16H21N3O/c1-16(12-20-13-16)11-17-7-15-8-18-19(10-15)9-14-5-3-2-4-6-14/h2-6,8,10,17H,7,9,11-13H2,1H3
InChIKeyFWSNTYDASXTNOY-UHFFFAOYSA-N
XLogP2.06
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzylpyrazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine 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

1-(1-ethylpyrazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957579
1-(1-benzylpyrazol-4-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 103743443
1-[[(1-benzylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 63933915
N-[(1-benzylpyrazol-4-yl)methyl]-1-methylcyclopropan-1-amine
CID 115635172
N'-[(1-benzylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888359
N-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 115624288
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
N-[(1-benzylpyrazol-4-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79353122
N'-[(1-benzylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 55025337
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 54592708
2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine
CID 83005209

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine?
The IUPAC name of 1-(1-benzylpyrazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine (CID 78957130) is 1-(1-benzylpyrazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-benzylpyrazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine?
The canonical SMILES for 1-(1-benzylpyrazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine is CC1(CNCc2cnn(Cc3ccccc3)c2)COC1.
What is the InChIKey of 1-(1-benzylpyrazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine?
The InChIKey is FWSNTYDASXTNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-16(12-20-13-16)11-17-7-15-8-18-19(10-15)9-14-5-3-2-4-6-14/h2-6,8,10,17H,7,9,11-13H2,1H3.
What are the key properties of 1-(1-benzylpyrazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine?
1-(1-benzylpyrazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine has a molecular weight of 271.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine is sourced from PubChem (CID 78957130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).