N-[(3-methyloxetan-3-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline

C15H19N3O — CID 107235050

IUPACN-[(3-methyloxetan-3-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
SMILESCC1(CNc2ccccc2Cn2cccn2)COC1
InChIInChI=1S/C15H19N3O/c1-15(11-19-12-15)10-16-14-6-3-2-5-13(14)9-18-8-4-7-17-18/h2-8,16H,9-12H2,1H3
InChIKeyFCAPDLJWKCNICO-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.38
Rot. Bonds5

About N-[(3-methyloxetan-3-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline

N-[(3-methyloxetan-3-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline (PubChem CID 107235050) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
PubChem CID107235050
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
SMILESCC1(CNc2ccccc2Cn2cccn2)COC1
InChIInChI=1S/C15H19N3O/c1-15(11-19-12-15)10-16-14-6-3-2-5-13(14)9-18-8-4-7-17-18/h2-8,16H,9-12H2,1H3
InChIKeyFCAPDLJWKCNICO-UHFFFAOYSA-N
XLogP2.38
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-dioxan-5-amine
CID 106658329
N-(oxan-3-ylmethyl)-2-(pyrazol-1-ylmethyl)aniline
CID 63740904
N-[(2-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 43693889
N-(piperidin-4-ylmethyl)-2-(pyrazol-1-ylmethyl)aniline
CID 79708171
N-[(1-ethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 103818614
N-cyclopentyl-2-(pyrazol-1-ylmethyl)aniline
CID 43693822
N-[(1-methylpiperidin-2-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 62655278
2-ethylsulfanyl-N-[(3-methyloxetan-3-yl)methyl]aniline
CID 107235366
N-[(4-chlorothiophen-2-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 79419714
N-(3-methylcyclopentyl)-2-(pyrazol-1-ylmethyl)aniline
CID 64501283
2-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrazol-3-amine
CID 130685382
3-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]oxolane-3-carboxamide
CID 64892317

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline (CID 107235050) is N-[(3-methyloxetan-3-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline is CC1(CNc2ccccc2Cn2cccn2)COC1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline?
The InChIKey is FCAPDLJWKCNICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(11-19-12-15)10-16-14-6-3-2-5-13(14)9-18-8-4-7-17-18/h2-8,16H,9-12H2,1H3.
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline?
N-[(3-methyloxetan-3-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline has a molecular weight of 257.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline is sourced from PubChem (CID 107235050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).