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

C8H9F3N2O — CID 90167802

IUPAC1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol
SMILESCn1nc(C(F)(F)F)c2c1CC(O)C2
InChIInChI=1S/C8H9F3N2O/c1-13-6-3-4(14)2-5(6)7(12-13)8(9,10)11/h4,14H,2-3H2,1H3
InChIKeyTXADLXHXOZWQAZ-UHFFFAOYSA-N
MW206.17 g/mol
LogP0.90
Rot. Bonds

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

1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol (PubChem CID 90167802) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol
PubChem CID90167802
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol
SMILESCn1nc(C(F)(F)F)c2c1CC(O)C2
InChIInChI=1S/C8H9F3N2O/c1-13-6-3-4(14)2-5(6)7(12-13)8(9,10)11/h4,14H,2-3H2,1H3
InChIKeyTXADLXHXOZWQAZ-UHFFFAOYSA-N
XLogP0.90
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol (CID 90167802) is 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol is Cn1nc(C(F)(F)F)c2c1CC(O)C2.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol?
The InChIKey is TXADLXHXOZWQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-13-6-3-4(14)2-5(6)7(12-13)8(9,10)11/h4,14H,2-3H2,1H3.
What are the key properties of 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol?
1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol has a molecular weight of 206.17 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol is sourced from PubChem (CID 90167802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).