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

C12H18N4O2S — CID 61384412

IUPACN-(2-cyanoethyl)-N-cyclopropyl-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CCC#N)C1CC1
InChIInChI=1S/C12H18N4O2S/c1-9-12(10(2)15(3)14-9)19(17,18)16(8-4-7-13)11-5-6-11/h11H,4-6,8H2,1-3H3
InChIKeySLJNOXGHSWFVRL-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.10
Rot. Bonds5

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

N-(2-cyanoethyl)-N-cyclopropyl-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 61384412) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID61384412
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CCC#N)C1CC1
InChIInChI=1S/C12H18N4O2S/c1-9-12(10(2)15(3)14-9)19(17,18)16(8-4-7-13)11-5-6-11/h11H,4-6,8H2,1-3H3
InChIKeySLJNOXGHSWFVRL-UHFFFAOYSA-N
XLogP1.10
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-1,3,5-trimethylpyrazole-4-sulfonamide (CID 61384412) is N-(2-cyanoethyl)-N-cyclopropyl-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)N(CCC#N)C1CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is SLJNOXGHSWFVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-9-12(10(2)15(3)14-9)19(17,18)16(8-4-7-13)11-5-6-11/h11H,4-6,8H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(2-cyanoethyl)-N-cyclopropyl-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 282.37 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropyl-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 61384412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).