methyl 9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxylate

C13H10F3N3O2 — CID 171830257

IUPACmethyl 9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxylate
SMILESCOC(=O)c1cc(C(F)(F)F)c2c(n1)CCc1cn[nH]c1-2
InChIInChI=1S/C13H10F3N3O2/c1-21-12(20)9-4-7(13(14,15)16)10-8(18-9)3-2-6-5-17-19-11(6)10/h4-5H,2-3H2,1H3,(H,17,19)
InChIKeyRGRILLSPRJOWJD-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.38
Rot. Bonds1

About methyl 9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxylate

methyl 9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxylate (PubChem CID 171830257) has the molecular formula C13H10F3N3O2 and a molecular weight of 297.24 g/mol. Its IUPAC name is methyl 9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxylate
PubChem CID171830257
Molecular FormulaC13H10F3N3O2
Molecular Weight297.24 g/mol
Exact Mass297.07
IUPAC Namemethyl 9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxylate
SMILESCOC(=O)c1cc(C(F)(F)F)c2c(n1)CCc1cn[nH]c1-2
InChIInChI=1S/C13H10F3N3O2/c1-21-12(20)9-4-7(13(14,15)16)10-8(18-9)3-2-6-5-17-19-11(6)10/h4-5H,2-3H2,1H3,(H,17,19)
InChIKeyRGRILLSPRJOWJD-UHFFFAOYSA-N
XLogP2.38
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 7-(trifluoromethyl)-1H-indazole-5-carboxylate
CID 67491553
methyl 4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxylate
CID 175787334
methyl 1-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine-3-carboxylate
CID 135043295
dimethyl 5-[(8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carbonyl)amino]benzene-1,3-dicarboxylate
CID 22511750
methyl 5-nitro-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133097202
methyl 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133099003
methyl 6-chloro-8-(trifluoromethyl)quinoline-2-carboxylate
CID 82250624
methyl 6-amino-5-(trifluoromethyl)pyridine-2-carboxylate
CID 131465361
methyl 5-methyl-3-(trifluoromethyl)pyridine-2-carboxylate
CID 135392315
methyl 6-oxo-2,7-diazatricyclo[7.3.1.05,13]trideca-1(13),2,4,8-tetraene-3-carboxylate
CID 54613146
methyl 6-[4-methoxy-2-(trifluoromethyl)phenyl]pyrazine-2-carboxylate
CID 167450835
methyl 6-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134676245

Frequently Asked Questions

What is the IUPAC name of methyl 9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxylate?
The IUPAC name of methyl 9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxylate (CID 171830257) is methyl 9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxylate.
What is the SMILES notation for methyl 9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxylate?
The canonical SMILES for methyl 9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxylate is COC(=O)c1cc(C(F)(F)F)c2c(n1)CCc1cn[nH]c1-2.
What is the InChIKey of methyl 9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxylate?
The InChIKey is RGRILLSPRJOWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O2/c1-21-12(20)9-4-7(13(14,15)16)10-8(18-9)3-2-6-5-17-19-11(6)10/h4-5H,2-3H2,1H3,(H,17,19).
What are the key properties of methyl 9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxylate?
methyl 9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxylate has a molecular weight of 297.24 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxylate is sourced from PubChem (CID 171830257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).