5-amino-4-(benzenesulfonyl)-3-cyanopyrazole-1-carboxamide

C11H9N5O3S — CID 134910072

IUPAC5-amino-4-(benzenesulfonyl)-3-cyanopyrazole-1-carboxamide
SMILESN#Cc1nn(C(N)=O)c(N)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H9N5O3S/c12-6-8-9(10(13)16(15-8)11(14)17)20(18,19)7-4-2-1-3-5-7/h1-5H,13H2,(H2,14,17)
InChIKeyCHHMOPWLOSXEBT-UHFFFAOYSA-N
MW291.29 g/mol
LogP0.10
Rot. Bonds2

About 5-amino-4-(benzenesulfonyl)-3-cyanopyrazole-1-carboxamide

5-amino-4-(benzenesulfonyl)-3-cyanopyrazole-1-carboxamide (PubChem CID 134910072) has the molecular formula C11H9N5O3S and a molecular weight of 291.29 g/mol. Its IUPAC name is 5-amino-4-(benzenesulfonyl)-3-cyanopyrazole-1-carboxamide.

Molecular Properties

Compound Name5-amino-4-(benzenesulfonyl)-3-cyanopyrazole-1-carboxamide
PubChem CID134910072
Molecular FormulaC11H9N5O3S
Molecular Weight291.29 g/mol
Exact Mass291.04
IUPAC Name5-amino-4-(benzenesulfonyl)-3-cyanopyrazole-1-carboxamide
SMILESN#Cc1nn(C(N)=O)c(N)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H9N5O3S/c12-6-8-9(10(13)16(15-8)11(14)17)20(18,19)7-4-2-1-3-5-7/h1-5H,13H2,(H2,14,17)
InChIKeyCHHMOPWLOSXEBT-UHFFFAOYSA-N
XLogP0.10
TPSA144.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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6-amino-5-(benzenesulfonyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 13295735
5-(benzenesulfonyl)-7-phenylpyrrolo[2,3-c]pyridazin-6-amine
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1-benzoylindazole-3-carbonitrile
CID 71818548
3,6-bis(benzenesulfonyl)-1,2,4,5-tetrazine
CID 71416027
benzenesulfonylbenzene;formonitrile
CID 174749173
[4-(benzenesulfonyl)phenyl]-phenylmethanone
CID 1040286
(carbamoylamino) benzenesulfonate;hydrate
CID 174585607
1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)sulfonyl]piperidine-4-carboxamide
CID 139582393
4-amino-8-cyanoimidazo[5,1-c][1,2,4]triazine-3-carboxamide
CID 15361543

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(benzenesulfonyl)-3-cyanopyrazole-1-carboxamide?
The IUPAC name of 5-amino-4-(benzenesulfonyl)-3-cyanopyrazole-1-carboxamide (CID 134910072) is 5-amino-4-(benzenesulfonyl)-3-cyanopyrazole-1-carboxamide.
What is the SMILES notation for 5-amino-4-(benzenesulfonyl)-3-cyanopyrazole-1-carboxamide?
The canonical SMILES for 5-amino-4-(benzenesulfonyl)-3-cyanopyrazole-1-carboxamide is N#Cc1nn(C(N)=O)c(N)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 5-amino-4-(benzenesulfonyl)-3-cyanopyrazole-1-carboxamide?
The InChIKey is CHHMOPWLOSXEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O3S/c12-6-8-9(10(13)16(15-8)11(14)17)20(18,19)7-4-2-1-3-5-7/h1-5H,13H2,(H2,14,17).
What are the key properties of 5-amino-4-(benzenesulfonyl)-3-cyanopyrazole-1-carboxamide?
5-amino-4-(benzenesulfonyl)-3-cyanopyrazole-1-carboxamide has a molecular weight of 291.29 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(benzenesulfonyl)-3-cyanopyrazole-1-carboxamide is sourced from PubChem (CID 134910072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).