N-(2-cyanopropyl)-1,3,5-trimethylpyrazole-4-sulfonamide

C10H16N4O2S — CID 62653855

IUPACN-(2-cyanopropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC(C)C#N
InChIInChI=1S/C10H16N4O2S/c1-7(5-11)6-12-17(15,16)10-8(2)13-14(4)9(10)3/h7,12H,6H2,1-4H3
InChIKeyWDZFVTNKAHUMCW-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.47
Rot. Bonds4

About N-(2-cyanopropyl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(2-cyanopropyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 62653855) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(2-cyanopropyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID62653855
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC NameN-(2-cyanopropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC(C)C#N
InChIInChI=1S/C10H16N4O2S/c1-7(5-11)6-12-17(15,16)10-8(2)13-14(4)9(10)3/h7,12H,6H2,1-4H3
InChIKeyWDZFVTNKAHUMCW-UHFFFAOYSA-N
XLogP0.47
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62666487
N-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 115613419
N-(4-bromo-2-methylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 113271242
N-(2-chloro-2-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 65033281
1,3,5-trimethyl-N-prop-2-ynylpyrazole-4-sulfonamide
CID 55028509
N'-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanimidamide
CID 76953266
1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 62658927
N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 95142288
1,3,5-trimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
CID 19684327
3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 105357896
1,3,5-trimethyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 55100929
N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 106141584

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-cyanopropyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 62653855) is N-(2-cyanopropyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-cyanopropyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-cyanopropyl)-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCC(C)C#N.
What is the InChIKey of N-(2-cyanopropyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is WDZFVTNKAHUMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-7(5-11)6-12-17(15,16)10-8(2)13-14(4)9(10)3/h7,12H,6H2,1-4H3.
What are the key properties of N-(2-cyanopropyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(2-cyanopropyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 62653855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).