1-(4-cyanophenyl)-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide

C12H12N4O2S — CID 63821706

IUPAC1-(4-cyanophenyl)-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide
SMILESCc1cc(NS(=O)(=O)Cc2ccc(C#N)cc2)n[nH]1
InChIInChI=1S/C12H12N4O2S/c1-9-6-12(15-14-9)16-19(17,18)8-11-4-2-10(7-13)3-5-11/h2-6H,8H2,1H3,(H2,14,15,16)
InChIKeyGHPQNUPMUAGGPX-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.53
Rot. Bonds4

About 1-(4-cyanophenyl)-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide

1-(4-cyanophenyl)-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide (PubChem CID 63821706) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide
PubChem CID63821706
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name1-(4-cyanophenyl)-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide
SMILESCc1cc(NS(=O)(=O)Cc2ccc(C#N)cc2)n[nH]1
InChIInChI=1S/C12H12N4O2S/c1-9-6-12(15-14-9)16-19(17,18)8-11-4-2-10(7-13)3-5-11/h2-6H,8H2,1H3,(H2,14,15,16)
InChIKeyGHPQNUPMUAGGPX-UHFFFAOYSA-N
XLogP1.53
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyanophenyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)methanesulfonamide
CID 115909173
1-(4-cyanophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide
CID 29041806
1-(4-cyanophenyl)-N-(6-methyl-2-pyridinyl)methanesulfonamide
CID 29049983
N-(5-amino-4-methyl-2-pyridinyl)-1-(4-cyanophenyl)methanesulfonamide
CID 61292986
1-(4-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide
CID 115698303
1-(4-cyanophenyl)-N-(4-methyl-1,3-oxazol-2-yl)methanesulfonamide
CID 115972431
1-(4-cyanophenyl)-N-(4-cyano-1H-pyrazol-5-yl)methanesulfonamide
CID 79503770
1-(4-cyanophenyl)-N-[(6-methyl-3-pyridinyl)methyl]methanesulfonamide
CID 61067577
1-(4-cyanophenyl)-N-(1-methylpyrazol-3-yl)methanesulfonamide
CID 60703867
1-(4-aminophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide
CID 104616865
1-(4-cyanophenyl)-N-(2-hydroxy-4-methylphenyl)methanesulfonamide
CID 43384860
4-chloro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide
CID 116816196

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide (CID 63821706) is 1-(4-cyanophenyl)-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide is Cc1cc(NS(=O)(=O)Cc2ccc(C#N)cc2)n[nH]1.
What is the InChIKey of 1-(4-cyanophenyl)-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide?
The InChIKey is GHPQNUPMUAGGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-9-6-12(15-14-9)16-19(17,18)8-11-4-2-10(7-13)3-5-11/h2-6H,8H2,1H3,(H2,14,15,16).
What are the key properties of 1-(4-cyanophenyl)-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide?
1-(4-cyanophenyl)-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide has a molecular weight of 276.32 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide is sourced from PubChem (CID 63821706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).