N-(2-imidazol-1-ylethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C10H15N5O2S — CID 60700315

IUPACN-(2-imidazol-1-ylethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCn1ccnc1
InChIInChI=1S/C10H15N5O2S/c1-8-10(9(2)14-13-8)18(16,17)12-4-6-15-5-3-11-7-15/h3,5,7,12H,4,6H2,1-2H3,(H,13,14)
InChIKeyYUNSEXBQBUJGTE-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.20
Rot. Bonds5

About N-(2-imidazol-1-ylethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(2-imidazol-1-ylethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 60700315) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID60700315
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC NameN-(2-imidazol-1-ylethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCn1ccnc1
InChIInChI=1S/C10H15N5O2S/c1-8-10(9(2)14-13-8)18(16,17)12-4-6-15-5-3-11-7-15/h3,5,7,12H,4,6H2,1-2H3,(H,13,14)
InChIKeyYUNSEXBQBUJGTE-UHFFFAOYSA-N
XLogP0.20
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 60700315) is N-(2-imidazol-1-ylethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCCn1ccnc1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is YUNSEXBQBUJGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-8-10(9(2)14-13-8)18(16,17)12-4-6-15-5-3-11-7-15/h3,5,7,12H,4,6H2,1-2H3,(H,13,14).
What are the key properties of N-(2-imidazol-1-ylethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(2-imidazol-1-ylethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 269.33 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60700315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).