(2-fluoro-6-methoxyphenyl)-(1-methylpyrazol-3-yl)methanamine

C12H14FN3O — CID 103131205

IUPAC(2-fluoro-6-methoxyphenyl)-(1-methylpyrazol-3-yl)methanamine
SMILESCOc1cccc(F)c1C(N)c1ccn(C)n1
InChIInChI=1S/C12H14FN3O/c1-16-7-6-9(15-16)12(14)11-8(13)4-3-5-10(11)17-2/h3-7,12H,14H2,1-2H3
InChIKeyOTAHKFASVICMDT-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.62
Rot. Bonds3

About (2-fluoro-6-methoxyphenyl)-(1-methylpyrazol-3-yl)methanamine

(2-fluoro-6-methoxyphenyl)-(1-methylpyrazol-3-yl)methanamine (PubChem CID 103131205) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is (2-fluoro-6-methoxyphenyl)-(1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(2-fluoro-6-methoxyphenyl)-(1-methylpyrazol-3-yl)methanamine
PubChem CID103131205
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name(2-fluoro-6-methoxyphenyl)-(1-methylpyrazol-3-yl)methanamine
SMILESCOc1cccc(F)c1C(N)c1ccn(C)n1
InChIInChI=1S/C12H14FN3O/c1-16-7-6-9(15-16)12(14)11-8(13)4-3-5-10(11)17-2/h3-7,12H,14H2,1-2H3
InChIKeyOTAHKFASVICMDT-UHFFFAOYSA-N
XLogP1.62
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylpyrazol-3-yl)-(2,3,4-trimethoxyphenyl)methanamine
CID 103134348
(1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride
CID 171210621
(1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine
CID 171230221
(2-fluoro-6-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 65434780
[(2-chloro-6-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103140976
1-(2-fluoro-6-methoxyphenyl)-2-phenylethanamine
CID 65434992
(5-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanamine
CID 65434580
(S)-(2-fluoro-6-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171210655
cyclopropyl-(2-fluoro-6-methoxyphenyl)methanamine
CID 55269614
methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate
CID 117305035
(2,5-dibromophenyl)-(2-fluoro-6-methoxyphenyl)methanamine
CID 65433424
cyclohexen-1-yl-(2-fluoro-6-methoxyphenyl)methanamine
CID 65433627

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-methoxyphenyl)-(1-methylpyrazol-3-yl)methanamine?
The IUPAC name of (2-fluoro-6-methoxyphenyl)-(1-methylpyrazol-3-yl)methanamine (CID 103131205) is (2-fluoro-6-methoxyphenyl)-(1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for (2-fluoro-6-methoxyphenyl)-(1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for (2-fluoro-6-methoxyphenyl)-(1-methylpyrazol-3-yl)methanamine is COc1cccc(F)c1C(N)c1ccn(C)n1.
What is the InChIKey of (2-fluoro-6-methoxyphenyl)-(1-methylpyrazol-3-yl)methanamine?
The InChIKey is OTAHKFASVICMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-16-7-6-9(15-16)12(14)11-8(13)4-3-5-10(11)17-2/h3-7,12H,14H2,1-2H3.
What are the key properties of (2-fluoro-6-methoxyphenyl)-(1-methylpyrazol-3-yl)methanamine?
(2-fluoro-6-methoxyphenyl)-(1-methylpyrazol-3-yl)methanamine has a molecular weight of 235.26 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-methoxyphenyl)-(1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 103131205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).