3-(1-ethylpyrazol-4-yl)-3-fluorobutan-2-amine

C9H16FN3 — CID 130574621

IUPAC3-(1-ethylpyrazol-4-yl)-3-fluorobutan-2-amine
SMILESCCn1cc(C(C)(F)C(C)N)cn1
InChIInChI=1S/C9H16FN3/c1-4-13-6-8(5-12-13)9(3,10)7(2)11/h5-7H,4,11H2,1-3H3
InChIKeyYYTVDGWWWFWJIM-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.43
Rot. Bonds3

About 3-(1-ethylpyrazol-4-yl)-3-fluorobutan-2-amine

3-(1-ethylpyrazol-4-yl)-3-fluorobutan-2-amine (PubChem CID 130574621) has the molecular formula C9H16FN3 and a molecular weight of 185.25 g/mol. Its IUPAC name is 3-(1-ethylpyrazol-4-yl)-3-fluorobutan-2-amine.

Molecular Properties

Compound Name3-(1-ethylpyrazol-4-yl)-3-fluorobutan-2-amine
PubChem CID130574621
Molecular FormulaC9H16FN3
Molecular Weight185.25 g/mol
Exact Mass185.13
IUPAC Name3-(1-ethylpyrazol-4-yl)-3-fluorobutan-2-amine
SMILESCCn1cc(C(C)(F)C(C)N)cn1
InChIInChI=1S/C9H16FN3/c1-4-13-6-8(5-12-13)9(3,10)7(2)11/h5-7H,4,11H2,1-3H3
InChIKeyYYTVDGWWWFWJIM-UHFFFAOYSA-N
XLogP1.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(1-ethylpyrazol-4-yl)butan-2-ol
CID 130574320
2-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine
CID 81020936
1-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103214758
2-(1-ethylpyrazol-4-yl)-1,1-dimethoxypropan-2-ol
CID 66039566
2-(1-ethylpyrazol-4-yl)-1-(2-methylpropylamino)propan-2-ol
CID 66036811
4-(1-ethylpyrazol-4-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392590
1-(tert-butylamino)-2-(1-ethylpyrazol-4-yl)propan-2-ol
CID 66038938
1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethanamine
CID 65135062
2-amino-2-(1-ethylpyrazol-4-yl)acetic acid
CID 83873853
1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79412573
4-(4-bromo-2-methylpentan-2-yl)-1-propylpyrazole
CID 64716215
1-(1-ethylpyrazol-4-yl)-2-methoxy-2-methylbutan-1-amine
CID 116757269

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrazol-4-yl)-3-fluorobutan-2-amine?
The IUPAC name of 3-(1-ethylpyrazol-4-yl)-3-fluorobutan-2-amine (CID 130574621) is 3-(1-ethylpyrazol-4-yl)-3-fluorobutan-2-amine.
What is the SMILES notation for 3-(1-ethylpyrazol-4-yl)-3-fluorobutan-2-amine?
The canonical SMILES for 3-(1-ethylpyrazol-4-yl)-3-fluorobutan-2-amine is CCn1cc(C(C)(F)C(C)N)cn1.
What is the InChIKey of 3-(1-ethylpyrazol-4-yl)-3-fluorobutan-2-amine?
The InChIKey is YYTVDGWWWFWJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN3/c1-4-13-6-8(5-12-13)9(3,10)7(2)11/h5-7H,4,11H2,1-3H3.
What are the key properties of 3-(1-ethylpyrazol-4-yl)-3-fluorobutan-2-amine?
3-(1-ethylpyrazol-4-yl)-3-fluorobutan-2-amine has a molecular weight of 185.25 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrazol-4-yl)-3-fluorobutan-2-amine is sourced from PubChem (CID 130574621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).