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

C8H9F3N2 — CID 90167781

IUPAC1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESCn1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C8H9F3N2/c1-13-6-4-2-3-5(6)7(12-13)8(9,10)11/h2-4H2,1H3
InChIKeyPOZKXHFTVFBMLW-UHFFFAOYSA-N
MW190.17 g/mol
LogP1.93
Rot. Bonds

About 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole

1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole (PubChem CID 90167781) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole
PubChem CID90167781
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESCn1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C8H9F3N2/c1-13-6-4-2-3-5(6)7(12-13)8(9,10)11/h2-4H2,1H3
InChIKeyPOZKXHFTVFBMLW-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 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole (CID 90167781) is 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole is Cn1nc(C(F)(F)F)c2c1CCC2.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The InChIKey is POZKXHFTVFBMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c1-13-6-4-2-3-5(6)7(12-13)8(9,10)11/h2-4H2,1H3.
What are the key properties of 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole?
1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]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 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole is sourced from PubChem (CID 90167781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).