N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide

C7H10N4O2S — CID 102691097

IUPACN-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide
SMILESCCC(C#N)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C7H10N4O2S/c1-2-6(5-8)11-14(12,13)7-3-4-9-10-7/h3-4,6,11H,2H2,1H3,(H,9,10)
InChIKeyKIOTUAHBWNABHY-UHFFFAOYSA-N
MW214.25 g/mol
LogP-0.01
Rot. Bonds4

About N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide

N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102691097) has the molecular formula C7H10N4O2S and a molecular weight of 214.25 g/mol. Its IUPAC name is N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide
PubChem CID102691097
Molecular FormulaC7H10N4O2S
Molecular Weight214.25 g/mol
Exact Mass214.05
IUPAC NameN-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide
SMILESCCC(C#N)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C7H10N4O2S/c1-2-6(5-8)11-14(12,13)7-3-4-9-10-7/h3-4,6,11H,2H2,1H3,(H,9,10)
InChIKeyKIOTUAHBWNABHY-UHFFFAOYSA-N
XLogP-0.01
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693096
N-(1-hydroxypentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 102693399
N-[cyano(cyclopropyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102691140
N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide
CID 102692933
N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693054
N-(3-cyanopentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 102691104
N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-5-sulfonamide
CID 102692706
N-(2-cyanobutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102691103
N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693971
N-(4-amino-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102694134
N-(4-chloropentan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102694053
N'-hydroxy-3-(1H-pyrazol-5-ylsulfonylamino)pentanimidamide
CID 102693859

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide (CID 102691097) is N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide is CCC(C#N)NS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is KIOTUAHBWNABHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2S/c1-2-6(5-8)11-14(12,13)7-3-4-9-10-7/h3-4,6,11H,2H2,1H3,(H,9,10).
What are the key properties of N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide?
N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 214.25 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).