5-(difluoromethyl)-3-thiophen-2-yl-1H-pyrazole

C8H6F2N2S — CID 23006217

IUPAC5-(difluoromethyl)-3-thiophen-2-yl-1H-pyrazole
SMILESFC(F)c1cc(-c2cccs2)n[nH]1
InChIInChI=1S/C8H6F2N2S/c9-8(10)6-4-5(11-12-6)7-2-1-3-13-7/h1-4,8H,(H,11,12)
InChIKeyGOPVYDYELDAMLR-UHFFFAOYSA-N
MW200.21 g/mol
LogP3.08
Rot. Bonds2

About 5-(difluoromethyl)-3-thiophen-2-yl-1H-pyrazole

5-(difluoromethyl)-3-thiophen-2-yl-1H-pyrazole (PubChem CID 23006217) has the molecular formula C8H6F2N2S and a molecular weight of 200.21 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-thiophen-2-yl-1H-pyrazole.

Molecular Properties

Compound Name5-(difluoromethyl)-3-thiophen-2-yl-1H-pyrazole
PubChem CID23006217
Molecular FormulaC8H6F2N2S
Molecular Weight200.21 g/mol
Exact Mass200.02
IUPAC Name5-(difluoromethyl)-3-thiophen-2-yl-1H-pyrazole
SMILESFC(F)c1cc(-c2cccs2)n[nH]1
InChIInChI=1S/C8H6F2N2S/c9-8(10)6-4-5(11-12-6)7-2-1-3-13-7/h1-4,8H,(H,11,12)
InChIKeyGOPVYDYELDAMLR-UHFFFAOYSA-N
XLogP3.08
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(difluoromethyl)-3-thiophen-2-yl-1,2-oxazole
CID 102110954
2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetonitrile
CID 14911014
2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetic acid
CID 14911019
5-(methylaminomethyl)-3-thiophen-2-yl-1H-pyridazin-6-one
CID 82446483
2-(3-thiophen-2-yl-1H-pyrazol-5-yl)ethyl formate
CID 175261379
4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methoxy]aniline
CID 54852075
1-[(4-methylphenyl)methyl]-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidine
CID 1488673
5-(1-thiophen-2-ylethyl)-1H-pyrazol-3-amine
CID 118100610
2-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methoxy]aniline
CID 54852202
3-chloro-6-thiophen-2-ylpyridazine
CID 6404701
1-(1-ethyl-5-methylpyrazol-4-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]ethanamine
CID 19627694
4-chloro-6-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-amine
CID 3261158

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-thiophen-2-yl-1H-pyrazole?
The IUPAC name of 5-(difluoromethyl)-3-thiophen-2-yl-1H-pyrazole (CID 23006217) is 5-(difluoromethyl)-3-thiophen-2-yl-1H-pyrazole.
What is the SMILES notation for 5-(difluoromethyl)-3-thiophen-2-yl-1H-pyrazole?
The canonical SMILES for 5-(difluoromethyl)-3-thiophen-2-yl-1H-pyrazole is FC(F)c1cc(-c2cccs2)n[nH]1.
What is the InChIKey of 5-(difluoromethyl)-3-thiophen-2-yl-1H-pyrazole?
The InChIKey is GOPVYDYELDAMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2S/c9-8(10)6-4-5(11-12-6)7-2-1-3-13-7/h1-4,8H,(H,11,12).
What are the key properties of 5-(difluoromethyl)-3-thiophen-2-yl-1H-pyrazole?
5-(difluoromethyl)-3-thiophen-2-yl-1H-pyrazole has a molecular weight of 200.21 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-thiophen-2-yl-1H-pyrazole is sourced from PubChem (CID 23006217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).