N-(cyanomethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide

C8H12N4O2S — CID 102691142

IUPACN-(cyanomethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide
SMILESCC(C)N(CC#N)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H12N4O2S/c1-7(2)12(6-4-9)15(13,14)8-3-5-10-11-8/h3,5,7H,6H2,1-2H3,(H,10,11)
InChIKeyQIWUCZQCFCCYLV-UHFFFAOYSA-N
MW228.28 g/mol
LogP0.33
Rot. Bonds4

About N-(cyanomethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide

N-(cyanomethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide (PubChem CID 102691142) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is N-(cyanomethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide
PubChem CID102691142
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC NameN-(cyanomethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide
SMILESCC(C)N(CC#N)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H12N4O2S/c1-7(2)12(6-4-9)15(13,14)8-3-5-10-11-8/h3,5,7H,6H2,1-2H3,(H,10,11)
InChIKeyQIWUCZQCFCCYLV-UHFFFAOYSA-N
XLogP0.33
TPSA89.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloroethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide
CID 102693924
2-[propan-2-yl(1H-pyrazol-5-ylsulfonyl)amino]acetamide
CID 102691712
N-(2-cyanopropyl)-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102691107
N-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 102690466
N-(2-aminoethyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide
CID 102694110
N-(2-chloroethyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide
CID 102693931
N-methyl-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693435
N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide
CID 102691097
N-(4-cyanobutyl)-1H-pyrazole-5-sulfonamide
CID 102691141
N-(3-cyanopentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 102691104
N-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693049
N-(2-cyanobutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102691103

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(cyanomethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide (CID 102691142) is N-(cyanomethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(cyanomethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(cyanomethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide is CC(C)N(CC#N)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(cyanomethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide?
The InChIKey is QIWUCZQCFCCYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-7(2)12(6-4-9)15(13,14)8-3-5-10-11-8/h3,5,7H,6H2,1-2H3,(H,10,11).
What are the key properties of N-(cyanomethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide?
N-(cyanomethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide has a molecular weight of 228.28 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).