N,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide

C11H17N5O2S — CID 60664773

IUPACN,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)Cc1nccn1C
InChIInChI=1S/C11H17N5O2S/c1-8-11(9(2)14-13-8)19(17,18)16(4)7-10-12-5-6-15(10)3/h5-6H,7H2,1-4H3,(H,13,14)
InChIKeyVSNADFKPQCTAIQ-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.58
Rot. Bonds4

About N,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide

N,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 60664773) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is N,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID60664773
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC NameN,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)Cc1nccn1C
InChIInChI=1S/C11H17N5O2S/c1-8-11(9(2)14-13-8)19(17,18)16(4)7-10-12-5-6-15(10)3/h5-6H,7H2,1-4H3,(H,13,14)
InChIKeyVSNADFKPQCTAIQ-UHFFFAOYSA-N
XLogP0.58
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide (CID 60664773) is N,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N(C)Cc1nccn1C.
What is the InChIKey of N,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is VSNADFKPQCTAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-8-11(9(2)14-13-8)19(17,18)16(4)7-10-12-5-6-15(10)3/h5-6H,7H2,1-4H3,(H,13,14).
What are the key properties of N,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
N,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 283.36 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60664773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).