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

C17H17N5O3S — CID 126947951

IUPAC1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C2CCN(S(=O)(=O)c3cccc4cccnc34)C2)c1
InChIInChI=1S/C17H17N5O3S/c18-17(23)13-9-20-22(10-13)14-6-8-21(11-14)26(24,25)15-5-1-3-12-4-2-7-19-16(12)15/h1-5,7,9-10,14H,6,8,11H2,(H2,18,23)
InChIKeyZTCGQNVDFCJXTK-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.17
Rot. Bonds4

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

1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)pyrazole-4-carboxamide (PubChem CID 126947951) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is 1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)pyrazole-4-carboxamide
PubChem CID126947951
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C2CCN(S(=O)(=O)c3cccc4cccnc34)C2)c1
InChIInChI=1S/C17H17N5O3S/c18-17(23)13-9-20-22(10-13)14-6-8-21(11-14)26(24,25)15-5-1-3-12-4-2-7-19-16(12)15/h1-5,7,9-10,14H,6,8,11H2,(H2,18,23)
InChIKeyZTCGQNVDFCJXTK-UHFFFAOYSA-N
XLogP1.17
TPSA111.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-quinolin-8-ylsulfonylazetidin-3-yl)pyrazole-4-carboxamide
CID 126900938
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
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-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline
CID 2809715
3-[(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 99991977
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline
CID 22202524
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
N-methyl-1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine
CID 119977492
1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine
CID 119974617
1-[1-(2-methylphenyl)sulfonylpiperidin-3-yl]pyrazole-4-carboxylic acid
CID 138044069

Frequently Asked Questions

What is the IUPAC name of 1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)pyrazole-4-carboxamide (CID 126947951) is 1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)pyrazole-4-carboxamide is NC(=O)c1cnn(C2CCN(S(=O)(=O)c3cccc4cccnc34)C2)c1.
What is the InChIKey of 1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)pyrazole-4-carboxamide?
The InChIKey is ZTCGQNVDFCJXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c18-17(23)13-9-20-22(10-13)14-6-8-21(11-14)26(24,25)15-5-1-3-12-4-2-7-19-16(12)15/h1-5,7,9-10,14H,6,8,11H2,(H2,18,23).
What are the key properties of 1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)pyrazole-4-carboxamide?
1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)pyrazole-4-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 1.17, 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-ylsulfonylpyrrolidin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 126947951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).