1-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide

C8H12N4O2S — CID 104620764

IUPAC1-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide
SMILESCC(C)c1cc(NS(=O)(=O)CC#N)n[nH]1
InChIInChI=1S/C8H12N4O2S/c1-6(2)7-5-8(11-10-7)12-15(13,14)4-3-9/h5-6H,4H2,1-2H3,(H2,10,11,12)
InChIKeyMBSXVRPCMIWMNC-UHFFFAOYSA-N
MW228.28 g/mol
LogP0.80
Rot. Bonds4

About 1-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide

1-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide (PubChem CID 104620764) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 1-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide
PubChem CID104620764
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Name1-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide
SMILESCC(C)c1cc(NS(=O)(=O)CC#N)n[nH]1
InChIInChI=1S/C8H12N4O2S/c1-6(2)7-5-8(11-10-7)12-15(13,14)4-3-9/h5-6H,4H2,1-2H3,(H2,10,11,12)
InChIKeyMBSXVRPCMIWMNC-UHFFFAOYSA-N
XLogP0.80
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide
CID 104621218
3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butane-1-sulfonamide
CID 112699300
2,6-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115686449
N-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-1-phenylmethanesulfonamide
CID 97097944
3-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 112697809
3-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115686443
4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616923
5-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide
CID 104619455
3-[[cyclohexyl(methyl)sulfamoyl]amino]-5-propan-2-yl-1H-pyrazole
CID 104620778
5-amino-2,4-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616943
4-bromo-3-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 103761318
3-amino-5-chloro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616959

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide?
The IUPAC name of 1-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide (CID 104620764) is 1-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide.
What is the SMILES notation for 1-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide?
The canonical SMILES for 1-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide is CC(C)c1cc(NS(=O)(=O)CC#N)n[nH]1.
What is the InChIKey of 1-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide?
The InChIKey is MBSXVRPCMIWMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-6(2)7-5-8(11-10-7)12-15(13,14)4-3-9/h5-6H,4H2,1-2H3,(H2,10,11,12).
What are the key properties of 1-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide?
1-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide has a molecular weight of 228.28 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide is sourced from PubChem (CID 104620764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).