[3,5-difluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine

C13H15F2N3O — CID 102999868

IUPAC[3,5-difluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
SMILESCn1cc(CCOc2c(F)cc(CN)cc2F)cn1
InChIInChI=1S/C13H15F2N3O/c1-18-8-9(7-17-18)2-3-19-13-11(14)4-10(6-16)5-12(13)15/h4-5,7-8H,2-3,6,16H2,1H3
InChIKeyDWIUKENLIXQYBA-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.78
Rot. Bonds5

About [3,5-difluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine

[3,5-difluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine (PubChem CID 102999868) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is [3,5-difluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3,5-difluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
PubChem CID102999868
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name[3,5-difluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
SMILESCn1cc(CCOc2c(F)cc(CN)cc2F)cn1
InChIInChI=1S/C13H15F2N3O/c1-18-8-9(7-17-18)2-3-19-13-11(14)4-10(6-16)5-12(13)15/h4-5,7-8H,2-3,6,16H2,1H3
InChIKeyDWIUKENLIXQYBA-UHFFFAOYSA-N
XLogP1.78
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3,5-difluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
CID 102999366
3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
CID 102999336
5-fluoro-2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
CID 102999396
4-[2-(4-fluoro-3-methylphenoxy)ethyl]-1-methylpyrazole
CID 103792119
[3-ethoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999274
[3,5-dibromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 107739097
2-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine
CID 103013018
(1R)-1-[3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine
CID 102999976
3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide
CID 103003963
[3,5-difluoro-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107041529
3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide
CID 103003957
5-bromo-2-fluoro-3-[2-(1-methylpyrazol-4-yl)ethoxy]pyridine
CID 167971668

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine?
The IUPAC name of [3,5-difluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine (CID 102999868) is [3,5-difluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine.
What is the SMILES notation for [3,5-difluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine?
The canonical SMILES for [3,5-difluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine is Cn1cc(CCOc2c(F)cc(CN)cc2F)cn1.
What is the InChIKey of [3,5-difluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine?
The InChIKey is DWIUKENLIXQYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-18-8-9(7-17-18)2-3-19-13-11(14)4-10(6-16)5-12(13)15/h4-5,7-8H,2-3,6,16H2,1H3.
What are the key properties of [3,5-difluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine?
[3,5-difluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine has a molecular weight of 267.28 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine is sourced from PubChem (CID 102999868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).