1-methyl-5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole

C10H9F3N2S — CID 20767953

IUPAC1-methyl-5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2C)s1
InChIInChI=1S/C10H9F3N2S/c1-6-3-4-8(16-6)7-5-9(10(11,12)13)14-15(7)2/h3-5H,1-2H3
InChIKeyNPDNAAPSMNKRTN-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.48
Rot. Bonds1

About 1-methyl-5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole

1-methyl-5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole (PubChem CID 20767953) has the molecular formula C10H9F3N2S and a molecular weight of 246.26 g/mol. Its IUPAC name is 1-methyl-5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole
PubChem CID20767953
Molecular FormulaC10H9F3N2S
Molecular Weight246.26 g/mol
Exact Mass246.04
IUPAC Name1-methyl-5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2C)s1
InChIInChI=1S/C10H9F3N2S/c1-6-3-4-8(16-6)7-5-9(10(11,12)13)14-15(7)2/h3-5H,1-2H3
InChIKeyNPDNAAPSMNKRTN-UHFFFAOYSA-N
XLogP3.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-methyl-5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole (CID 20767953) is 1-methyl-5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-methyl-5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-methyl-5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole is Cc1ccc(-c2cc(C(F)(F)F)nn2C)s1.
What is the InChIKey of 1-methyl-5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole?
The InChIKey is NPDNAAPSMNKRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2S/c1-6-3-4-8(16-6)7-5-9(10(11,12)13)14-15(7)2/h3-5H,1-2H3.
What are the key properties of 1-methyl-5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole?
1-methyl-5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole has a molecular weight of 246.26 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 20767953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).