N-(2-cyanoethyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide

C10H16N4O2S — CID 54944620

IUPACN-(2-cyanoethyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(CCC#N)C(C)C
InChIInChI=1S/C10H16N4O2S/c1-8(2)14(6-4-5-11)17(15,16)10-7-12-13-9(10)3/h7-8H,4,6H2,1-3H3,(H,12,13)
InChIKeyMLFWBVSSSRQXBF-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.03
Rot. Bonds5

About N-(2-cyanoethyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide

N-(2-cyanoethyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide (PubChem CID 54944620) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(2-cyanoethyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide
PubChem CID54944620
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC NameN-(2-cyanoethyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(CCC#N)C(C)C
InChIInChI=1S/C10H16N4O2S/c1-8(2)14(6-4-5-11)17(15,16)10-7-12-13-9(10)3/h7-8H,4,6H2,1-3H3,(H,12,13)
InChIKeyMLFWBVSSSRQXBF-UHFFFAOYSA-N
XLogP1.03
TPSA89.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide (CID 54944620) is N-(2-cyanoethyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)N(CCC#N)C(C)C.
What is the InChIKey of N-(2-cyanoethyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide?
The InChIKey is MLFWBVSSSRQXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-8(2)14(6-4-5-11)17(15,16)10-7-12-13-9(10)3/h7-8H,4,6H2,1-3H3,(H,12,13).
What are the key properties of N-(2-cyanoethyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide?
N-(2-cyanoethyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide has a molecular weight of 256.33 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54944620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).