N-(3-cyanopentan-3-yl)-1H-pyrazole-5-sulfonamide

C9H14N4O2S — CID 102691104

IUPACN-(3-cyanopentan-3-yl)-1H-pyrazole-5-sulfonamide
SMILESCCC(C#N)(CC)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H14N4O2S/c1-3-9(4-2,7-10)13-16(14,15)8-5-6-11-12-8/h5-6,13H,3-4H2,1-2H3,(H,11,12)
InChIKeyHYHCQAZMMRSHLA-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.77
Rot. Bonds5

About N-(3-cyanopentan-3-yl)-1H-pyrazole-5-sulfonamide

N-(3-cyanopentan-3-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 102691104) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is N-(3-cyanopentan-3-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-cyanopentan-3-yl)-1H-pyrazole-5-sulfonamide
PubChem CID102691104
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC NameN-(3-cyanopentan-3-yl)-1H-pyrazole-5-sulfonamide
SMILESCCC(C#N)(CC)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H14N4O2S/c1-3-9(4-2,7-10)13-16(14,15)8-5-6-11-12-8/h5-6,13H,3-4H2,1-2H3,(H,11,12)
InChIKeyHYHCQAZMMRSHLA-UHFFFAOYSA-N
XLogP0.77
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanobutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102691103
N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide
CID 102691097
N-(1-amino-2-methylpropan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102690411
N-(3-cyanopentan-3-yl)-3-methylbenzenesulfonamide
CID 61123518
N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693365
N-(3-cyanopentan-3-yl)-3-fluorobenzenesulfonamide
CID 61123913
3-cyano-N-(3-cyanopentan-3-yl)benzenesulfonamide
CID 61122321
N-(4-cyanobutyl)-1H-pyrazole-5-sulfonamide
CID 102691141
N-prop-2-enyl-1H-pyrazole-5-sulfonamide
CID 102690992
N-(3-cyanopentan-3-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 61122121
N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide
CID 102692933
N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693971

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopentan-3-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(3-cyanopentan-3-yl)-1H-pyrazole-5-sulfonamide (CID 102691104) is N-(3-cyanopentan-3-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(3-cyanopentan-3-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(3-cyanopentan-3-yl)-1H-pyrazole-5-sulfonamide is CCC(C#N)(CC)NS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(3-cyanopentan-3-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is HYHCQAZMMRSHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-3-9(4-2,7-10)13-16(14,15)8-5-6-11-12-8/h5-6,13H,3-4H2,1-2H3,(H,11,12).
What are the key properties of N-(3-cyanopentan-3-yl)-1H-pyrazole-5-sulfonamide?
N-(3-cyanopentan-3-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 242.30 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopentan-3-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).