2-[1-(difluoromethyl)-3-thiophen-2-ylpyrazol-5-yl]ethanamine

C10H11F2N3S — CID 121211134

IUPAC2-[1-(difluoromethyl)-3-thiophen-2-ylpyrazol-5-yl]ethanamine
SMILESNCCc1cc(-c2cccs2)nn1C(F)F
InChIInChI=1S/C10H11F2N3S/c11-10(12)15-7(3-4-13)6-8(14-15)9-2-1-5-16-9/h1-2,5-6,10H,3-4,13H2
InChIKeyIGOOXEWWWTZDLA-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.51
Rot. Bonds4

About 2-[1-(difluoromethyl)-3-thiophen-2-ylpyrazol-5-yl]ethanamine

2-[1-(difluoromethyl)-3-thiophen-2-ylpyrazol-5-yl]ethanamine (PubChem CID 121211134) has the molecular formula C10H11F2N3S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3-thiophen-2-ylpyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3-thiophen-2-ylpyrazol-5-yl]ethanamine
PubChem CID121211134
Molecular FormulaC10H11F2N3S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name2-[1-(difluoromethyl)-3-thiophen-2-ylpyrazol-5-yl]ethanamine
SMILESNCCc1cc(-c2cccs2)nn1C(F)F
InChIInChI=1S/C10H11F2N3S/c11-10(12)15-7(3-4-13)6-8(14-15)9-2-1-5-16-9/h1-2,5-6,10H,3-4,13H2
InChIKeyIGOOXEWWWTZDLA-UHFFFAOYSA-N
XLogP2.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-5-yl]methanamine
CID 121211109
2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine
CID 82167237
methyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboximidate
CID 121211106
(2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 103316839
2-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)acetonitrile
CID 15707631
2-[1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanamine
CID 98018921
1,5-dimethyl-3-thiophen-2-ylpyrazole
CID 59635615
N'-(5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine
CID 82270798
1-(chloromethyl)-5-propan-2-yl-3-thiophen-2-ylpyrazole
CID 121211921
5-(difluoromethyl)-3-thiophen-2-yl-1,2-oxazole
CID 102110954
(2-thiophen-2-ylimidazo[1,2-a]pyridin-7-yl)methanamine
CID 79021026
2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetonitrile
CID 121214173

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3-thiophen-2-ylpyrazol-5-yl]ethanamine?
The IUPAC name of 2-[1-(difluoromethyl)-3-thiophen-2-ylpyrazol-5-yl]ethanamine (CID 121211134) is 2-[1-(difluoromethyl)-3-thiophen-2-ylpyrazol-5-yl]ethanamine.
What is the SMILES notation for 2-[1-(difluoromethyl)-3-thiophen-2-ylpyrazol-5-yl]ethanamine?
The canonical SMILES for 2-[1-(difluoromethyl)-3-thiophen-2-ylpyrazol-5-yl]ethanamine is NCCc1cc(-c2cccs2)nn1C(F)F.
What is the InChIKey of 2-[1-(difluoromethyl)-3-thiophen-2-ylpyrazol-5-yl]ethanamine?
The InChIKey is IGOOXEWWWTZDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3S/c11-10(12)15-7(3-4-13)6-8(14-15)9-2-1-5-16-9/h1-2,5-6,10H,3-4,13H2.
What are the key properties of 2-[1-(difluoromethyl)-3-thiophen-2-ylpyrazol-5-yl]ethanamine?
2-[1-(difluoromethyl)-3-thiophen-2-ylpyrazol-5-yl]ethanamine has a molecular weight of 243.28 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-3-thiophen-2-ylpyrazol-5-yl]ethanamine is sourced from PubChem (CID 121211134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).