8-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline

C15H14FN5O2S — CID 24865989

IUPAC8-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESCC1c2cn[nH]c2-c2cc(F)ccc2N1S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C15H14FN5O2S/c1-9-13-7-17-19-15(13)12-5-10(16)3-4-14(12)21(9)24(22,23)11-6-18-20(2)8-11/h3-9H,1-2H3,(H,17,19)
InChIKeyIEEJRYYRLGNFPR-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.22
Rot. Bonds2

About 8-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline

8-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 24865989) has the molecular formula C15H14FN5O2S and a molecular weight of 347.38 g/mol. Its IUPAC name is 8-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name8-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID24865989
Molecular FormulaC15H14FN5O2S
Molecular Weight347.38 g/mol
Exact Mass347.09
IUPAC Name8-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESCC1c2cn[nH]c2-c2cc(F)ccc2N1S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C15H14FN5O2S/c1-9-13-7-17-19-15(13)12-5-10(16)3-4-14(12)21(9)24(22,23)11-6-18-20(2)8-11/h3-9H,1-2H3,(H,17,19)
InChIKeyIEEJRYYRLGNFPR-UHFFFAOYSA-N
XLogP2.22
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Elnd-007
CID 46912223
Elnd-006
CID 53308121
4-Cyclopropyl-5-(4-fluorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24865253
4-Cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,3-c]quinoline
CID 45485450
(4R)-5-(4-chlorophenyl)sulfonyl-8-fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 45485492
(4R)-4-cyclopropyl-8-fluoro-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 71746584
8-(4-Ethylphenyl)-5-Methyl-2,5-Dihydropyrazolo[4,3-C][2,1]benzothiazine 4,4-Dioxide
CID 71568837
(4R)-4-Cyclopropyl-8-fluoro-4,5-dihydro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1H-pyrazolo[4,3-c]quinoline
CID 45101437
4-Cyclopropyl-7-iodo-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 45485495
(1S,8R)-13-fluoro-15-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene
CID 71552253
(4R)-4-cyclopropyl-7,8-difluoro-5-(4-fluorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 71746395
(4R)-4-cyclopropyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 71746397

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 8-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (CID 24865989) is 8-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 8-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 8-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline is CC1c2cn[nH]c2-c2cc(F)ccc2N1S(=O)(=O)c1cnn(C)c1.
What is the InChIKey of 8-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is IEEJRYYRLGNFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O2S/c1-9-13-7-17-19-15(13)12-5-10(16)3-4-14(12)21(9)24(22,23)11-6-18-20(2)8-11/h3-9H,1-2H3,(H,17,19).
What are the key properties of 8-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
8-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 347.38 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 24865989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).