1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazole-4-carboxamide

C16H15N5O3S — CID 126900938

IUPAC1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C2CN(S(=O)(=O)c3cccc4cccnc34)C2)c1
InChIInChI=1S/C16H15N5O3S/c17-16(22)12-7-19-21(8-12)13-9-20(10-13)25(23,24)14-5-1-3-11-4-2-6-18-15(11)14/h1-8,13H,9-10H2,(H2,17,22)
InChIKeyYDFOPCZRFQHTLE-UHFFFAOYSA-N
MW357.40 g/mol
LogP0.78
Rot. Bonds4

About 1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazole-4-carboxamide

1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazole-4-carboxamide (PubChem CID 126900938) has the molecular formula C16H15N5O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is 1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazole-4-carboxamide
PubChem CID126900938
Molecular FormulaC16H15N5O3S
Molecular Weight357.40 g/mol
Exact Mass357.09
IUPAC Name1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C2CN(S(=O)(=O)c3cccc4cccnc34)C2)c1
InChIInChI=1S/C16H15N5O3S/c17-16(22)12-7-19-21(8-12)13-9-20(10-13)25(23,24)14-5-1-3-11-4-2-6-18-15(11)14/h1-8,13H,9-10H2,(H2,17,22)
InChIKeyYDFOPCZRFQHTLE-UHFFFAOYSA-N
XLogP0.78
TPSA111.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)pyrazole-4-carboxamide
CID 126947951
1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazole-4-carbonitrile
CID 126900569
1-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one
CID 126945683
1-methyl-3-[1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazol-4-yl]imidazolidin-2-one
CID 126946023
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline
CID 2809715
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline
CID 22202524
N-(2-quinolin-8-ylsulfonyl-2-azabicyclo[2.2.1]heptan-5-yl)benzamide
CID 156602199
8-piperidin-1-ylsulfonylquinoline
CID 768759
8-[[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]quinoline
CID 126858187
ethyl 1-quinolin-8-ylsulfonylpiperidine-3-carboxylate
CID 2917197

Frequently Asked Questions

What is the IUPAC name of 1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazole-4-carboxamide (CID 126900938) is 1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazole-4-carboxamide is NC(=O)c1cnn(C2CN(S(=O)(=O)c3cccc4cccnc34)C2)c1.
What is the InChIKey of 1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazole-4-carboxamide?
The InChIKey is YDFOPCZRFQHTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S/c17-16(22)12-7-19-21(8-12)13-9-20(10-13)25(23,24)14-5-1-3-11-4-2-6-18-15(11)14/h1-8,13H,9-10H2,(H2,17,22).
What are the key properties of 1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazole-4-carboxamide?
1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazole-4-carboxamide has a molecular weight of 357.40 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 126900938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).