3-(difluoromethyl)-1-methyl-5-thiophen-2-ylpyrazole

C9H8F2N2S — CID 91297691

IUPAC3-(difluoromethyl)-1-methyl-5-thiophen-2-ylpyrazole
SMILESCn1nc(C(F)F)cc1-c1cccs1
InChIInChI=1S/C9H8F2N2S/c1-13-7(8-3-2-4-14-8)5-6(12-13)9(10)11/h2-5,9H,1H3
InChIKeyNNTVEFRUXYLGGW-UHFFFAOYSA-N
MW214.24 g/mol
LogP3.09
Rot. Bonds2

About 3-(difluoromethyl)-1-methyl-5-thiophen-2-ylpyrazole

3-(difluoromethyl)-1-methyl-5-thiophen-2-ylpyrazole (PubChem CID 91297691) has the molecular formula C9H8F2N2S and a molecular weight of 214.24 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-5-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-5-thiophen-2-ylpyrazole
PubChem CID91297691
Molecular FormulaC9H8F2N2S
Molecular Weight214.24 g/mol
Exact Mass214.04
IUPAC Name3-(difluoromethyl)-1-methyl-5-thiophen-2-ylpyrazole
SMILESCn1nc(C(F)F)cc1-c1cccs1
InChIInChI=1S/C9H8F2N2S/c1-13-7(8-3-2-4-14-8)5-6(12-13)9(10)11/h2-5,9H,1H3
InChIKeyNNTVEFRUXYLGGW-UHFFFAOYSA-N
XLogP3.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 2735377
5-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]-thiophene-2-sulfonamide
CID 2820380
5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 2820331
5-[1-Methyl-5-(Trifluoromethyl)-1H-Pyrazol-3-Yl]Thiophene-2-Sulfonyl Chloride
CID 2775671
Methyl 4-phenyldiazenyl-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole-1-carbodithioate
CID 339361
4-Bromo-3-(5-bromothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole
CID 2819997
1-Methyl-3-[5-(1-methylsulfonylpyrazol-3-yl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole
CID 2820328
5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carbaldehyde thiosemicarbazone
CID 11067581
1-Methyl-5-(thiophen-2-yl)-3-(trifluoromethyl)-1H-pyrazol-4-amine
CID 155893904
1-Methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride
CID 162644500
1-Methyl-4-nitroso-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 162673476
5-[1-Methyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]thiophene-2-sulfonyl chloride
CID 2775673

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-5-thiophen-2-ylpyrazole?
The IUPAC name of 3-(difluoromethyl)-1-methyl-5-thiophen-2-ylpyrazole (CID 91297691) is 3-(difluoromethyl)-1-methyl-5-thiophen-2-ylpyrazole.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-5-thiophen-2-ylpyrazole?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-5-thiophen-2-ylpyrazole is Cn1nc(C(F)F)cc1-c1cccs1.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-5-thiophen-2-ylpyrazole?
The InChIKey is NNTVEFRUXYLGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2S/c1-13-7(8-3-2-4-14-8)5-6(12-13)9(10)11/h2-5,9H,1H3.
What are the key properties of 3-(difluoromethyl)-1-methyl-5-thiophen-2-ylpyrazole?
3-(difluoromethyl)-1-methyl-5-thiophen-2-ylpyrazole has a molecular weight of 214.24 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methyl-5-thiophen-2-ylpyrazole is sourced from PubChem (CID 91297691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).