9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline

C17H12F3N5 — CID 147987870

IUPAC9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline
SMILESFC(F)(F)c1[nH]ncc1-c1cc(C2CC2)c2c(ccc3[nH]ncc32)n1
InChIInChI=1S/C17H12F3N5/c18-17(19,20)16-11(7-22-25-16)14-5-9(8-1-2-8)15-10-6-21-24-12(10)3-4-13(15)23-14/h3-8H,1-2H2,(H,21,24)(H,22,25)
InChIKeyIUMARYQWTKVJMI-UHFFFAOYSA-N
MW343.31 g/mol
LogP4.40
Rot. Bonds2

About 9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline

9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline (PubChem CID 147987870) has the molecular formula C17H12F3N5 and a molecular weight of 343.31 g/mol. Its IUPAC name is 9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline.

Molecular Properties

Compound Name9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline
PubChem CID147987870
Molecular FormulaC17H12F3N5
Molecular Weight343.31 g/mol
Exact Mass343.10
IUPAC Name9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline
SMILESFC(F)(F)c1[nH]ncc1-c1cc(C2CC2)c2c(ccc3[nH]ncc32)n1
InChIInChI=1S/C17H12F3N5/c18-17(19,20)16-11(7-22-25-16)14-5-9(8-1-2-8)15-10-6-21-24-12(10)3-4-13(15)23-14/h3-8H,1-2H2,(H,21,24)(H,22,25)
InChIKeyIUMARYQWTKVJMI-UHFFFAOYSA-N
XLogP4.40
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline?
The IUPAC name of 9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline (CID 147987870) is 9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline.
What is the SMILES notation for 9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline?
The canonical SMILES for 9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline is FC(F)(F)c1[nH]ncc1-c1cc(C2CC2)c2c(ccc3[nH]ncc32)n1.
What is the InChIKey of 9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline?
The InChIKey is IUMARYQWTKVJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5/c18-17(19,20)16-11(7-22-25-16)14-5-9(8-1-2-8)15-10-6-21-24-12(10)3-4-13(15)23-14/h3-8H,1-2H2,(H,21,24)(H,22,25).
What are the key properties of 9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline?
9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline has a molecular weight of 343.31 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline is sourced from PubChem (CID 147987870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).