N,N-bis(2-cyanoethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C11H15N5O2S — CID 16767614

IUPACN,N-bis(2-cyanoethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(CCC#N)CCC#N
InChIInChI=1S/C11H15N5O2S/c1-9-11(10(2)15-14-9)19(17,18)16(7-3-5-12)8-4-6-13/h3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyMDCYMXPXDGQRES-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.84
Rot. Bonds6

About N,N-bis(2-cyanoethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N,N-bis(2-cyanoethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 16767614) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID16767614
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC NameN,N-bis(2-cyanoethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(CCC#N)CCC#N
InChIInChI=1S/C11H15N5O2S/c1-9-11(10(2)15-14-9)19(17,18)16(7-3-5-12)8-4-6-13/h3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyMDCYMXPXDGQRES-UHFFFAOYSA-N
XLogP0.84
TPSA113.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 16767614) is N,N-bis(2-cyanoethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N(CCC#N)CCC#N.
What is the InChIKey of N,N-bis(2-cyanoethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is MDCYMXPXDGQRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-9-11(10(2)15-14-9)19(17,18)16(7-3-5-12)8-4-6-13/h3-4,7-8H2,1-2H3,(H,14,15).
What are the key properties of N,N-bis(2-cyanoethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N,N-bis(2-cyanoethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 16767614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).