1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole

C10H13F3N2 — CID 90162769

IUPAC1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESCC(C)n1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C10H13F3N2/c1-6(2)15-8-5-3-4-7(8)9(14-15)10(11,12)13/h6H,3-5H2,1-2H3
InChIKeyAOHNSHMMBOBEQV-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.97
Rot. Bonds1

About 1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole

1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole (PubChem CID 90162769) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole.

Molecular Properties

Compound Name1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole
PubChem CID90162769
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESCC(C)n1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C10H13F3N2/c1-6(2)15-8-5-3-4-7(8)9(14-15)10(11,12)13/h6H,3-5H2,1-2H3
InChIKeyAOHNSHMMBOBEQV-UHFFFAOYSA-N
XLogP2.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The IUPAC name of 1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole (CID 90162769) is 1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole.
What is the SMILES notation for 1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The canonical SMILES for 1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole is CC(C)n1nc(C(F)(F)F)c2c1CCC2.
What is the InChIKey of 1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The InChIKey is AOHNSHMMBOBEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-6(2)15-8-5-3-4-7(8)9(14-15)10(11,12)13/h6H,3-5H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole?
1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole has a molecular weight of 218.22 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole is sourced from PubChem (CID 90162769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).