2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole

C8H9F3N2 — CID 90167567

IUPAC2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCn1nc2c(c1C(F)(F)F)CCC2
InChIInChI=1S/C8H9F3N2/c1-13-7(8(9,10)11)5-3-2-4-6(5)12-13/h2-4H2,1H3
InChIKeyCARNBEVYJHSVCO-UHFFFAOYSA-N
MW190.17 g/mol
LogP1.93
Rot. Bonds

About 2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole

2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole (PubChem CID 90167567) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole.

Molecular Properties

Compound Name2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
PubChem CID90167567
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCn1nc2c(c1C(F)(F)F)CCC2
InChIInChI=1S/C8H9F3N2/c1-13-7(8(9,10)11)5-3-2-4-6(5)12-13/h2-4H2,1H3
InChIKeyCARNBEVYJHSVCO-UHFFFAOYSA-N
XLogP1.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The IUPAC name of 2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole (CID 90167567) is 2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole.
What is the SMILES notation for 2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The canonical SMILES for 2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole is Cn1nc2c(c1C(F)(F)F)CCC2.
What is the InChIKey of 2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The InChIKey is CARNBEVYJHSVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c1-13-7(8(9,10)11)5-3-2-4-6(5)12-13/h2-4H2,1H3.
What are the key properties of 2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole has a molecular weight of 190.17 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole is sourced from PubChem (CID 90167567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).