3-[5-(3-fluoropropyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole

C12H12F4N2S — CID 68973247

IUPAC3-[5-(3-fluoropropyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCn1nc(-c2ccc(CCCF)s2)cc1C(F)(F)F
InChIInChI=1S/C12H12F4N2S/c1-18-11(12(14,15)16)7-9(17-18)10-5-4-8(19-10)3-2-6-13/h4-5,7H,2-3,6H2,1H3
InChIKeyAALHDRBMTPCMHT-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.07
Rot. Bonds4

About 3-[5-(3-fluoropropyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole

3-[5-(3-fluoropropyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole (PubChem CID 68973247) has the molecular formula C12H12F4N2S and a molecular weight of 292.30 g/mol. Its IUPAC name is 3-[5-(3-fluoropropyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3-[5-(3-fluoropropyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole
PubChem CID68973247
Molecular FormulaC12H12F4N2S
Molecular Weight292.30 g/mol
Exact Mass292.07
IUPAC Name3-[5-(3-fluoropropyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCn1nc(-c2ccc(CCCF)s2)cc1C(F)(F)F
InChIInChI=1S/C12H12F4N2S/c1-18-11(12(14,15)16)7-9(17-18)10-5-4-8(19-10)3-2-6-13/h4-5,7H,2-3,6H2,1H3
InChIKeyAALHDRBMTPCMHT-UHFFFAOYSA-N
XLogP4.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-fluoropropyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 3-[5-(3-fluoropropyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole (CID 68973247) is 3-[5-(3-fluoropropyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 3-[5-(3-fluoropropyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 3-[5-(3-fluoropropyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole is Cn1nc(-c2ccc(CCCF)s2)cc1C(F)(F)F.
What is the InChIKey of 3-[5-(3-fluoropropyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole?
The InChIKey is AALHDRBMTPCMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4N2S/c1-18-11(12(14,15)16)7-9(17-18)10-5-4-8(19-10)3-2-6-13/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 3-[5-(3-fluoropropyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole?
3-[5-(3-fluoropropyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole has a molecular weight of 292.30 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-fluoropropyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 68973247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).