9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxylic acid

C12H10F3N3O2 — CID 845265

IUPAC9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxylic acid
SMILESO=C(O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCCC3
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)10-6-3-1-2-4-7(6)16-9-5-8(11(19)20)17-18(9)10/h5H,1-4H2,(H,19,20)
InChIKeyCUQZKWQVZFPFFT-UHFFFAOYSA-N
MW285.22 g/mol
LogP2.33
Rot. Bonds1

About 9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxylic acid

9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxylic acid (PubChem CID 845265) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxylic acid
PubChem CID845265
Molecular FormulaC12H10F3N3O2
Molecular Weight285.22 g/mol
Exact Mass285.07
IUPAC Name9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxylic acid
SMILESO=C(O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCCC3
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)10-6-3-1-2-4-7(6)16-9-5-8(11(19)20)17-18(9)10/h5H,1-4H2,(H,19,20)
InChIKeyCUQZKWQVZFPFFT-UHFFFAOYSA-N
XLogP2.33
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxylic acid?
The IUPAC name of 9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxylic acid (CID 845265) is 9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxylic acid.
What is the SMILES notation for 9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxylic acid?
The canonical SMILES for 9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxylic acid is O=C(O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCCC3.
What is the InChIKey of 9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxylic acid?
The InChIKey is CUQZKWQVZFPFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c13-12(14,15)10-6-3-1-2-4-7(6)16-9-5-8(11(19)20)17-18(9)10/h5H,1-4H2,(H,19,20).
What are the key properties of 9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxylic acid?
9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxylic acid has a molecular weight of 285.22 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxylic acid is sourced from PubChem (CID 845265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).