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

C10H13F3N2O — CID 90162782

IUPAC1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol
SMILESCC(C)n1nc(C(F)(F)F)c2c1C(O)CC2
InChIInChI=1S/C10H13F3N2O/c1-5(2)15-8-6(3-4-7(8)16)9(14-15)10(11,12)13/h5,7,16H,3-4H2,1-2H3
InChIKeyNACMGKVZHVJTRC-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.46
Rot. Bonds1

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

1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol (PubChem CID 90162782) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol.

Molecular Properties

Compound Name1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol
PubChem CID90162782
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol
SMILESCC(C)n1nc(C(F)(F)F)c2c1C(O)CC2
InChIInChI=1S/C10H13F3N2O/c1-5(2)15-8-6(3-4-7(8)16)9(14-15)10(11,12)13/h5,7,16H,3-4H2,1-2H3
InChIKeyNACMGKVZHVJTRC-UHFFFAOYSA-N
XLogP2.46
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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]pyrazol-6-ol?
The IUPAC name of 1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol (CID 90162782) is 1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol.
What is the SMILES notation for 1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol?
The canonical SMILES for 1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol is CC(C)n1nc(C(F)(F)F)c2c1C(O)CC2.
What is the InChIKey of 1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol?
The InChIKey is NACMGKVZHVJTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-5(2)15-8-6(3-4-7(8)16)9(14-15)10(11,12)13/h5,7,16H,3-4H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol?
1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol has a molecular weight of 234.22 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol is sourced from PubChem (CID 90162782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).