N-[cyano(cyclopropyl)methyl]-1H-pyrazole-5-sulfonamide

C8H10N4O2S — CID 102691140

IUPACN-[cyano(cyclopropyl)methyl]-1H-pyrazole-5-sulfonamide
SMILESN#CC(NS(=O)(=O)c1ccn[nH]1)C1CC1
InChIInChI=1S/C8H10N4O2S/c9-5-7(6-1-2-6)12-15(13,14)8-3-4-10-11-8/h3-4,6-7,12H,1-2H2,(H,10,11)
InChIKeyRPEUMYQYMXKKQW-UHFFFAOYSA-N
MW226.26 g/mol
LogP-0.01
Rot. Bonds4

About N-[cyano(cyclopropyl)methyl]-1H-pyrazole-5-sulfonamide

N-[cyano(cyclopropyl)methyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102691140) has the molecular formula C8H10N4O2S and a molecular weight of 226.26 g/mol. Its IUPAC name is N-[cyano(cyclopropyl)methyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[cyano(cyclopropyl)methyl]-1H-pyrazole-5-sulfonamide
PubChem CID102691140
Molecular FormulaC8H10N4O2S
Molecular Weight226.26 g/mol
Exact Mass226.05
IUPAC NameN-[cyano(cyclopropyl)methyl]-1H-pyrazole-5-sulfonamide
SMILESN#CC(NS(=O)(=O)c1ccn[nH]1)C1CC1
InChIInChI=1S/C8H10N4O2S/c9-5-7(6-1-2-6)12-15(13,14)8-3-4-10-11-8/h3-4,6-7,12H,1-2H2,(H,10,11)
InChIKeyRPEUMYQYMXKKQW-UHFFFAOYSA-N
XLogP-0.01
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide
CID 102691097
2-cyclopropyl-2-(1H-pyrazol-5-ylsulfonylamino)ethanethioamide
CID 102691214
N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693054
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102691804
N-(2-amino-1-cyclohexylethyl)-1H-pyrazole-5-sulfonamide
CID 102690413
N-cyclooctyl-1H-pyrazole-5-sulfonamide
CID 102691484
N-cycloheptyl-1H-pyrazole-5-sulfonamide
CID 102691549
N-(cyclohexylmethyl)-1H-pyrazole-5-sulfonamide
CID 102691651
N-(4-amino-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102694134
N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 107297786
N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693096
N-(4-cyanobutyl)-1H-pyrazole-5-sulfonamide
CID 102691141

Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclopropyl)methyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[cyano(cyclopropyl)methyl]-1H-pyrazole-5-sulfonamide (CID 102691140) is N-[cyano(cyclopropyl)methyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[cyano(cyclopropyl)methyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[cyano(cyclopropyl)methyl]-1H-pyrazole-5-sulfonamide is N#CC(NS(=O)(=O)c1ccn[nH]1)C1CC1.
What is the InChIKey of N-[cyano(cyclopropyl)methyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is RPEUMYQYMXKKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S/c9-5-7(6-1-2-6)12-15(13,14)8-3-4-10-11-8/h3-4,6-7,12H,1-2H2,(H,10,11).
What are the key properties of N-[cyano(cyclopropyl)methyl]-1H-pyrazole-5-sulfonamide?
N-[cyano(cyclopropyl)methyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 226.26 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-[cyano(cyclopropyl)methyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).