[3-fluoro-5-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methanamine

C12H14FN3O — CID 116792491

IUPAC[3-fluoro-5-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methanamine
SMILESCn1cc(OCc2cc(F)cc(CN)c2)cn1
InChIInChI=1S/C12H14FN3O/c1-16-7-12(6-15-16)17-8-10-2-9(5-14)3-11(13)4-10/h2-4,6-7H,5,8,14H2,1H3
InChIKeyORGXQMNKCVNZGM-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.60
Rot. Bonds4

About [3-fluoro-5-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methanamine

[3-fluoro-5-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methanamine (PubChem CID 116792491) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is [3-fluoro-5-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-5-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methanamine
PubChem CID116792491
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name[3-fluoro-5-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methanamine
SMILESCn1cc(OCc2cc(F)cc(CN)c2)cn1
InChIInChI=1S/C12H14FN3O/c1-16-7-12(6-15-16)17-8-10-2-9(5-14)3-11(13)4-10/h2-4,6-7H,5,8,14H2,1H3
InChIKeyORGXQMNKCVNZGM-UHFFFAOYSA-N
XLogP1.60
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(Difluoromethyl)phenyl]methoxy]-1-ethylpyrazole
CID 99839136
1-methyl-4-[(3S)-3-phenylmethoxybutoxy]pyrazole
CID 100730887
N-[[2-fluoro-4-[2-(4-methylpyrazol-1-yl)ethoxymethyl]phenyl]methyl]propan-1-amine
CID 139324765
1-(3-Fluoropropyl)-3-methyl-4-phenylmethoxypyrazole
CID 170354793
[2-Fluoro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine
CID 54962241
(1R)-1-[4-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 55190110
[2-Fluoro-6-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine
CID 62128083
[2-[(1-Ethylpyrazol-4-yl)methoxy]-6-fluorophenyl]methanamine
CID 62128084
1-[4-Fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 63065303
[4-(2-Pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanamine
CID 63319569
[4-[(1-Ethylpyrazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine
CID 63319571
N-methyl-1-[4-[(1-methylpyrazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine
CID 63319666

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methanamine?
The IUPAC name of [3-fluoro-5-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methanamine (CID 116792491) is [3-fluoro-5-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-5-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methanamine?
The canonical SMILES for [3-fluoro-5-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methanamine is Cn1cc(OCc2cc(F)cc(CN)c2)cn1.
What is the InChIKey of [3-fluoro-5-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methanamine?
The InChIKey is ORGXQMNKCVNZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-16-7-12(6-15-16)17-8-10-2-9(5-14)3-11(13)4-10/h2-4,6-7H,5,8,14H2,1H3.
What are the key properties of [3-fluoro-5-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methanamine?
[3-fluoro-5-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methanamine has a molecular weight of 235.26 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methanamine is sourced from PubChem (CID 116792491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).