[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine

C12H15N3O — CID 82866670

IUPAC[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine
SMILESCn1ccc(COc2cccc(CN)c2)n1
InChIInChI=1S/C12H15N3O/c1-15-6-5-11(14-15)9-16-12-4-2-3-10(7-12)8-13/h2-7H,8-9,13H2,1H3
InChIKeyNDEPALGZZARVPB-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.46
Rot. Bonds4

About [3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine

[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine (PubChem CID 82866670) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine
PubChem CID82866670
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine
SMILESCn1ccc(COc2cccc(CN)c2)n1
InChIInChI=1S/C12H15N3O/c1-15-6-5-11(14-15)9-16-12-4-2-3-10(7-12)8-13/h2-7H,8-9,13H2,1H3
InChIKeyNDEPALGZZARVPB-UHFFFAOYSA-N
XLogP1.46
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanol
CID 82866640
3-[(4-bromo-3-methylphenoxy)methyl]-1-methylpyrazole
CID 83133039
2-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 82876258
3-[(3-ethylphenoxy)methyl]-1-methylpyrazol-5-amine
CID 82082157
[2-chloro-6-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 82866452
[1-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105205197
2-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenecarbothioamide
CID 82865850
3-methyl-2-[(1-methylpyrazol-3-yl)methoxy]aniline
CID 82865663
[3-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]methanamine
CID 106485119
N-methyl-1-[3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 64801948
1-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine
CID 82878160
N-[1-[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethyl]pyrimidin-4-amine
CID 175860647

Frequently Asked Questions

What is the IUPAC name of [3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine (CID 82866670) is [3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine is Cn1ccc(COc2cccc(CN)c2)n1.
What is the InChIKey of [3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine?
The InChIKey is NDEPALGZZARVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15-6-5-11(14-15)9-16-12-4-2-3-10(7-12)8-13/h2-7H,8-9,13H2,1H3.
What are the key properties of [3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine?
[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine has a molecular weight of 217.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 82866670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).