3-(difluoromethyl)-5-(4-methylthiophen-2-yl)-4H-pyrazole

C9H8F2N2S — CID 174179216

IUPAC3-(difluoromethyl)-5-(4-methylthiophen-2-yl)-4H-pyrazole
SMILESCc1csc(C2=NN=C(C(F)F)C2)c1
InChIInChI=1S/C9H8F2N2S/c1-5-2-8(14-4-5)6-3-7(9(10)11)13-12-6/h2,4,9H,3H2,1H3
InChIKeyXFHKLIAWIUZIAE-UHFFFAOYSA-N
MW214.24 g/mol
LogP2.87
Rot. Bonds2

About 3-(difluoromethyl)-5-(4-methylthiophen-2-yl)-4H-pyrazole

3-(difluoromethyl)-5-(4-methylthiophen-2-yl)-4H-pyrazole (PubChem CID 174179216) has the molecular formula C9H8F2N2S and a molecular weight of 214.24 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-(4-methylthiophen-2-yl)-4H-pyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-5-(4-methylthiophen-2-yl)-4H-pyrazole
PubChem CID174179216
Molecular FormulaC9H8F2N2S
Molecular Weight214.24 g/mol
Exact Mass214.04
IUPAC Name3-(difluoromethyl)-5-(4-methylthiophen-2-yl)-4H-pyrazole
SMILESCc1csc(C2=NN=C(C(F)F)C2)c1
InChIInChI=1S/C9H8F2N2S/c1-5-2-8(14-4-5)6-3-7(9(10)11)13-12-6/h2,4,9H,3H2,1H3
InChIKeyXFHKLIAWIUZIAE-UHFFFAOYSA-N
XLogP2.87
TPSA24.72 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 ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-(4-methylthiophen-2-yl)-4H-pyrazole?
The IUPAC name of 3-(difluoromethyl)-5-(4-methylthiophen-2-yl)-4H-pyrazole (CID 174179216) is 3-(difluoromethyl)-5-(4-methylthiophen-2-yl)-4H-pyrazole.
What is the SMILES notation for 3-(difluoromethyl)-5-(4-methylthiophen-2-yl)-4H-pyrazole?
The canonical SMILES for 3-(difluoromethyl)-5-(4-methylthiophen-2-yl)-4H-pyrazole is Cc1csc(C2=NN=C(C(F)F)C2)c1.
What is the InChIKey of 3-(difluoromethyl)-5-(4-methylthiophen-2-yl)-4H-pyrazole?
The InChIKey is XFHKLIAWIUZIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2S/c1-5-2-8(14-4-5)6-3-7(9(10)11)13-12-6/h2,4,9H,3H2,1H3.
What are the key properties of 3-(difluoromethyl)-5-(4-methylthiophen-2-yl)-4H-pyrazole?
3-(difluoromethyl)-5-(4-methylthiophen-2-yl)-4H-pyrazole has a molecular weight of 214.24 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-(4-methylthiophen-2-yl)-4H-pyrazole is sourced from PubChem (CID 174179216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).