7-chloro-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline

C20H15ClF3N3O2S — CID 45485496

IUPAC7-chloro-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2cc(Cl)ccc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C20H15ClF3N3O2S/c21-13-5-8-15-17(9-13)27(19(11-1-2-11)16-10-25-26-18(15)16)30(28,29)14-6-3-12(4-7-14)20(22,23)24/h3-11,19H,1-2H2,(H,25,26)
InChIKeyGVVYZJLUZCRFEO-UHFFFAOYSA-N
MW453.87 g/mol
LogP5.41
Rot. Bonds3

About 7-chloro-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline

7-chloro-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 45485496) has the molecular formula C20H15ClF3N3O2S and a molecular weight of 453.87 g/mol. Its IUPAC name is 7-chloro-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name7-chloro-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID45485496
Molecular FormulaC20H15ClF3N3O2S
Molecular Weight453.87 g/mol
Exact Mass453.05
IUPAC Name7-chloro-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2cc(Cl)ccc2-c2[nH]ncc2C1C1CC1
InChIInChI=1S/C20H15ClF3N3O2S/c21-13-5-8-15-17(9-13)27(19(11-1-2-11)16-10-25-26-18(15)16)30(28,29)14-6-3-12(4-7-14)20(22,23)24/h3-11,19H,1-2H2,(H,25,26)
InChIKeyGVVYZJLUZCRFEO-UHFFFAOYSA-N
XLogP5.41
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.87
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 7-chloro-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (CID 45485496) is 7-chloro-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 7-chloro-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 7-chloro-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline is O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2cc(Cl)ccc2-c2[nH]ncc2C1C1CC1.
What is the InChIKey of 7-chloro-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is GVVYZJLUZCRFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N3O2S/c21-13-5-8-15-17(9-13)27(19(11-1-2-11)16-10-25-26-18(15)16)30(28,29)14-6-3-12(4-7-14)20(22,23)24/h3-11,19H,1-2H2,(H,25,26).
What are the key properties of 7-chloro-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
7-chloro-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 453.87 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 45485496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).