(1S)-1-[5-(4-fluoropyrazol-1-yl)thiophen-2-yl]ethanamine

C9H10FN3S — CID 168853592

IUPAC(1S)-1-[5-(4-fluoropyrazol-1-yl)thiophen-2-yl]ethanamine
SMILESC[C@H](N)c1ccc(-n2cc(F)cn2)s1
InChIInChI=1S/C9H10FN3S/c1-6(11)8-2-3-9(14-8)13-5-7(10)4-12-13/h2-6H,11H2,1H3/t6-/m0/s1
InChIKeyMOWNOJQZXXZTEP-LURJTMIESA-N
MW211.27 g/mol
LogP2.09
Rot. Bonds2

About (1S)-1-[5-(4-fluoropyrazol-1-yl)thiophen-2-yl]ethanamine

(1S)-1-[5-(4-fluoropyrazol-1-yl)thiophen-2-yl]ethanamine (PubChem CID 168853592) has the molecular formula C9H10FN3S and a molecular weight of 211.27 g/mol. Its IUPAC name is (1S)-1-[5-(4-fluoropyrazol-1-yl)thiophen-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-(4-fluoropyrazol-1-yl)thiophen-2-yl]ethanamine
PubChem CID168853592
Molecular FormulaC9H10FN3S
Molecular Weight211.27 g/mol
Exact Mass211.06
IUPAC Name(1S)-1-[5-(4-fluoropyrazol-1-yl)thiophen-2-yl]ethanamine
SMILESC[C@H](N)c1ccc(-n2cc(F)cn2)s1
InChIInChI=1S/C9H10FN3S/c1-6(11)8-2-3-9(14-8)13-5-7(10)4-12-13/h2-6H,11H2,1H3/t6-/m0/s1
InChIKeyMOWNOJQZXXZTEP-LURJTMIESA-N
XLogP2.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Fluorophenyl)-4-thiophen-2-ylpyrazole
CID 134965137
3-pyrazol-1-yl-N-(2-thiophen-2-ylethyl)butan-2-amine
CID 53620199
1-(3,5-Dimethylthiophen-2-yl)-4-methyl-3-(trifluoromethyl)pyrazole
CID 90956653
1-[(3-Fluorothiophen-2-yl)methyl]pyrazole
CID 141287281
1-[(5-Fluorothiophen-2-yl)methyl]pyrazole
CID 141287285
3-(3,5-Difluorothiophen-2-yl)-1-propan-2-ylpyrazole
CID 142566138
3-(3-Fluorothiophen-2-yl)-1-propan-2-ylpyrazole
CID 142566294
1-(2-Fluorophenyl)-5-(5-fluorothiophen-2-yl)pyrazole
CID 173952291
1-Butyl-5-(3,5-difluorothiophen-2-yl)pyrazole
CID 174694141
1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine
CID 55088562
1-(5-Methylthiophen-2-yl)-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine
CID 61631230
1-Thiophen-2-yl-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-amine
CID 61631233

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(4-fluoropyrazol-1-yl)thiophen-2-yl]ethanamine?
The IUPAC name of (1S)-1-[5-(4-fluoropyrazol-1-yl)thiophen-2-yl]ethanamine (CID 168853592) is (1S)-1-[5-(4-fluoropyrazol-1-yl)thiophen-2-yl]ethanamine.
What is the SMILES notation for (1S)-1-[5-(4-fluoropyrazol-1-yl)thiophen-2-yl]ethanamine?
The canonical SMILES for (1S)-1-[5-(4-fluoropyrazol-1-yl)thiophen-2-yl]ethanamine is C[C@H](N)c1ccc(-n2cc(F)cn2)s1.
What is the InChIKey of (1S)-1-[5-(4-fluoropyrazol-1-yl)thiophen-2-yl]ethanamine?
The InChIKey is MOWNOJQZXXZTEP-LURJTMIESA-N. The full InChI is InChI=1S/C9H10FN3S/c1-6(11)8-2-3-9(14-8)13-5-7(10)4-12-13/h2-6H,11H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-[5-(4-fluoropyrazol-1-yl)thiophen-2-yl]ethanamine?
(1S)-1-[5-(4-fluoropyrazol-1-yl)thiophen-2-yl]ethanamine has a molecular weight of 211.27 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(4-fluoropyrazol-1-yl)thiophen-2-yl]ethanamine is sourced from PubChem (CID 168853592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).