4-(2-ethylpyrazol-3-yl)-4-fluoro-5-methoxypentan-1-amine

C11H20FN3O — CID 103392371

IUPAC4-(2-ethylpyrazol-3-yl)-4-fluoro-5-methoxypentan-1-amine
SMILESCCn1nccc1C(F)(CCCN)COC
InChIInChI=1S/C11H20FN3O/c1-3-15-10(5-8-14-15)11(12,9-16-2)6-4-7-13/h5,8H,3-4,6-7,9,13H2,1-2H3
InChIKeyNNXRYMIFRNCASQ-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.45
Rot. Bonds7

About 4-(2-ethylpyrazol-3-yl)-4-fluoro-5-methoxypentan-1-amine

4-(2-ethylpyrazol-3-yl)-4-fluoro-5-methoxypentan-1-amine (PubChem CID 103392371) has the molecular formula C11H20FN3O and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-(2-ethylpyrazol-3-yl)-4-fluoro-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-(2-ethylpyrazol-3-yl)-4-fluoro-5-methoxypentan-1-amine
PubChem CID103392371
Molecular FormulaC11H20FN3O
Molecular Weight229.30 g/mol
Exact Mass229.16
IUPAC Name4-(2-ethylpyrazol-3-yl)-4-fluoro-5-methoxypentan-1-amine
SMILESCCn1nccc1C(F)(CCCN)COC
InChIInChI=1S/C11H20FN3O/c1-3-15-10(5-8-14-15)11(12,9-16-2)6-4-7-13/h5,8H,3-4,6-7,9,13H2,1-2H3
InChIKeyNNXRYMIFRNCASQ-UHFFFAOYSA-N
XLogP1.45
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methyl-1H-pyrazol-5-yl)oxetan-3-amine hydrochloride
CID 165687848
3-(1,1-Difluoro-2-methoxyethyl)-1-methylpyrazole
CID 123366235
1-(3,3-Difluorocyclobutyl)-5-(oxolan-3-yl)pyrazole
CID 141405123
1-(3,3-Difluorocyclopentyl)-5-(oxolan-3-yl)pyrazole
CID 141405152
1-(2-Fluoropropyl)-5-(2-methoxyethyl)pyrazol-4-amine
CID 145428107
1-(2,2-Difluoroethyl)-5-(2-methoxyethyl)pyrazol-4-amine
CID 146569730
4-[(Z)-C-(2-methylpyrazol-3-yl)-N-[[2-(trifluoromethyl)cyclopropyl]methoxy]carbonimidoyl]cyclohexan-1-amine
CID 166903849
3-[2-(2-Fluoro-2-methylpropyl)pyrazol-3-yl]propan-1-amine
CID 84668986
2-[2-(3-Fluoro-3-methylbutyl)pyrazol-3-yl]ethanamine
CID 84668987
2-[5-(2-Fluoropropan-2-yl)pyrazol-1-yl]ethanamine
CID 84731907
3-[5-(2-Fluoropropan-2-yl)pyrazol-1-yl]propan-1-amine
CID 84732709
N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103006099

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpyrazol-3-yl)-4-fluoro-5-methoxypentan-1-amine?
The IUPAC name of 4-(2-ethylpyrazol-3-yl)-4-fluoro-5-methoxypentan-1-amine (CID 103392371) is 4-(2-ethylpyrazol-3-yl)-4-fluoro-5-methoxypentan-1-amine.
What is the SMILES notation for 4-(2-ethylpyrazol-3-yl)-4-fluoro-5-methoxypentan-1-amine?
The canonical SMILES for 4-(2-ethylpyrazol-3-yl)-4-fluoro-5-methoxypentan-1-amine is CCn1nccc1C(F)(CCCN)COC.
What is the InChIKey of 4-(2-ethylpyrazol-3-yl)-4-fluoro-5-methoxypentan-1-amine?
The InChIKey is NNXRYMIFRNCASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN3O/c1-3-15-10(5-8-14-15)11(12,9-16-2)6-4-7-13/h5,8H,3-4,6-7,9,13H2,1-2H3.
What are the key properties of 4-(2-ethylpyrazol-3-yl)-4-fluoro-5-methoxypentan-1-amine?
4-(2-ethylpyrazol-3-yl)-4-fluoro-5-methoxypentan-1-amine has a molecular weight of 229.30 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpyrazol-3-yl)-4-fluoro-5-methoxypentan-1-amine is sourced from PubChem (CID 103392371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).