(2,5-dimethylpyrazol-3-yl)-(2-fluoro-4-methoxyphenyl)methanamine

C13H16FN3O — CID 103397454

IUPAC(2,5-dimethylpyrazol-3-yl)-(2-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(C)nn2C)c(F)c1
InChIInChI=1S/C13H16FN3O/c1-8-6-12(17(2)16-8)13(15)10-5-4-9(18-3)7-11(10)14/h4-7,13H,15H2,1-3H3
InChIKeyLGYCNXLSDVZHPN-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.92
Rot. Bonds3

About (2,5-dimethylpyrazol-3-yl)-(2-fluoro-4-methoxyphenyl)methanamine

(2,5-dimethylpyrazol-3-yl)-(2-fluoro-4-methoxyphenyl)methanamine (PubChem CID 103397454) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-(2-fluoro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-(2-fluoro-4-methoxyphenyl)methanamine
PubChem CID103397454
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name(2,5-dimethylpyrazol-3-yl)-(2-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(C)nn2C)c(F)c1
InChIInChI=1S/C13H16FN3O/c1-8-6-12(17(2)16-8)13(15)10-5-4-9(18-3)7-11(10)14/h4-7,13H,15H2,1-3H3
InChIKeyLGYCNXLSDVZHPN-UHFFFAOYSA-N
XLogP1.92
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81304825
(2,3-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine
CID 105150850
(1,3-diethylpyrazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 103397297
(2-fluoro-4-methoxyphenyl)-phenylmethanamine
CID 43561220
2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 81304748
(2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 102882947
(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 102882911
(2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 102882564
(2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561246
(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanamine
CID 103395513
(2-fluoro-4-methoxyphenyl)-pyrimidin-4-ylmethanamine
CID 103395544
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81305018

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-(2-fluoro-4-methoxyphenyl)methanamine?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-(2-fluoro-4-methoxyphenyl)methanamine (CID 103397454) is (2,5-dimethylpyrazol-3-yl)-(2-fluoro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-(2-fluoro-4-methoxyphenyl)methanamine?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-(2-fluoro-4-methoxyphenyl)methanamine is COc1ccc(C(N)c2cc(C)nn2C)c(F)c1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-(2-fluoro-4-methoxyphenyl)methanamine?
The InChIKey is LGYCNXLSDVZHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-8-6-12(17(2)16-8)13(15)10-5-4-9(18-3)7-11(10)14/h4-7,13H,15H2,1-3H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-(2-fluoro-4-methoxyphenyl)methanamine?
(2,5-dimethylpyrazol-3-yl)-(2-fluoro-4-methoxyphenyl)methanamine has a molecular weight of 249.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-(2-fluoro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 103397454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).