4-fluoro-2-methoxy-N-(2-pyrazol-1-ylethyl)aniline

C12H14FN3O — CID 54968374

IUPAC4-fluoro-2-methoxy-N-(2-pyrazol-1-ylethyl)aniline
SMILESCOc1cc(F)ccc1NCCn1cccn1
InChIInChI=1S/C12H14FN3O/c1-17-12-9-10(13)3-4-11(12)14-6-8-16-7-2-5-15-16/h2-5,7,9,14H,6,8H2,1H3
InChIKeyMHXKWTWMZDDWJQ-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.14
Rot. Bonds5

About 4-fluoro-2-methoxy-N-(2-pyrazol-1-ylethyl)aniline

4-fluoro-2-methoxy-N-(2-pyrazol-1-ylethyl)aniline (PubChem CID 54968374) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-N-(2-pyrazol-1-ylethyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-methoxy-N-(2-pyrazol-1-ylethyl)aniline
PubChem CID54968374
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name4-fluoro-2-methoxy-N-(2-pyrazol-1-ylethyl)aniline
SMILESCOc1cc(F)ccc1NCCn1cccn1
InChIInChI=1S/C12H14FN3O/c1-17-12-9-10(13)3-4-11(12)14-6-8-16-7-2-5-15-16/h2-5,7,9,14H,6,8H2,1H3
InChIKeyMHXKWTWMZDDWJQ-UHFFFAOYSA-N
XLogP2.14
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-N-(2-pyrazol-1-ylethyl)benzene-1,2-diamine
CID 113392574
2,3,4-trifluoro-N-(2-pyrazol-1-ylethyl)aniline
CID 54961881
4-fluoro-2-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]aniline
CID 113240613
2,6-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 35525598
4-fluoro-2-methoxy-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63315130
4-fluoro-2-methoxy-N-(3-methoxy-3-methylbutyl)aniline
CID 102975690
N-(4-fluoro-2-methoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525122
[4-methoxy-3-(2-pyrazol-1-ylethylamino)phenyl]-morpholin-4-ylmethanone
CID 122135369
N-(2-ethylbutyl)-4-fluoro-2-methoxyaniline
CID 60961963
2-fluoro-N-(2-pyrazol-1-ylethyl)-5-(trifluoromethyl)aniline
CID 63036481
4-fluoro-2-methoxy-N-(2-thiophen-2-ylethyl)aniline
CID 63774739
2-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 61460888

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-N-(2-pyrazol-1-ylethyl)aniline?
The IUPAC name of 4-fluoro-2-methoxy-N-(2-pyrazol-1-ylethyl)aniline (CID 54968374) is 4-fluoro-2-methoxy-N-(2-pyrazol-1-ylethyl)aniline.
What is the SMILES notation for 4-fluoro-2-methoxy-N-(2-pyrazol-1-ylethyl)aniline?
The canonical SMILES for 4-fluoro-2-methoxy-N-(2-pyrazol-1-ylethyl)aniline is COc1cc(F)ccc1NCCn1cccn1.
What is the InChIKey of 4-fluoro-2-methoxy-N-(2-pyrazol-1-ylethyl)aniline?
The InChIKey is MHXKWTWMZDDWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-17-12-9-10(13)3-4-11(12)14-6-8-16-7-2-5-15-16/h2-5,7,9,14H,6,8H2,1H3.
What are the key properties of 4-fluoro-2-methoxy-N-(2-pyrazol-1-ylethyl)aniline?
4-fluoro-2-methoxy-N-(2-pyrazol-1-ylethyl)aniline has a molecular weight of 235.26 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-N-(2-pyrazol-1-ylethyl)aniline is sourced from PubChem (CID 54968374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).