1-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol

C9H11F3N2O — CID 129129812

IUPAC1-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol
SMILESCCn1nc(C(F)(F)F)c2c1CC(O)C2
InChIInChI=1S/C9H11F3N2O/c1-2-14-7-4-5(15)3-6(7)8(13-14)9(10,11)12/h5,15H,2-4H2,1H3
InChIKeyJCFUROLYQXHYAP-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.38
Rot. Bonds1

About 1-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol

1-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol (PubChem CID 129129812) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol.

Molecular Properties

Compound Name1-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol
PubChem CID129129812
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name1-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol
SMILESCCn1nc(C(F)(F)F)c2c1CC(O)C2
InChIInChI=1S/C9H11F3N2O/c1-2-14-7-4-5(15)3-6(7)8(13-14)9(10,11)12/h5,15H,2-4H2,1H3
InChIKeyJCFUROLYQXHYAP-UHFFFAOYSA-N
XLogP1.38
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol?
The IUPAC name of 1-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol (CID 129129812) is 1-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol.
What is the SMILES notation for 1-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol?
The canonical SMILES for 1-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol is CCn1nc(C(F)(F)F)c2c1CC(O)C2.
What is the InChIKey of 1-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol?
The InChIKey is JCFUROLYQXHYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-2-14-7-4-5(15)3-6(7)8(13-14)9(10,11)12/h5,15H,2-4H2,1H3.
What are the key properties of 1-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol?
1-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol has a molecular weight of 220.19 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol is sourced from PubChem (CID 129129812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).