N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide

C15H23N5O2S — CID 91911673

IUPACN-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCc2ncc(C)n2C2CCC2)cn1
InChIInChI=1S/C15H23N5O2S/c1-3-19-11-14(10-17-19)23(21,22)18-8-7-15-16-9-12(2)20(15)13-5-4-6-13/h9-11,13,18H,3-8H2,1-2H3
InChIKeyHMUVHVPYLXETQK-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.65
Rot. Bonds7

About N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide

N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide (PubChem CID 91911673) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide
PubChem CID91911673
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC NameN-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCc2ncc(C)n2C2CCC2)cn1
InChIInChI=1S/C15H23N5O2S/c1-3-19-11-14(10-17-19)23(21,22)18-8-7-15-16-9-12(2)20(15)13-5-4-6-13/h9-11,13,18H,3-8H2,1-2H3
InChIKeyHMUVHVPYLXETQK-UHFFFAOYSA-N
XLogP1.65
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide (CID 91911673) is N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCCc2ncc(C)n2C2CCC2)cn1.
What is the InChIKey of N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide?
The InChIKey is HMUVHVPYLXETQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-3-19-11-14(10-17-19)23(21,22)18-8-7-15-16-9-12(2)20(15)13-5-4-6-13/h9-11,13,18H,3-8H2,1-2H3.
What are the key properties of N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide?
N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide has a molecular weight of 337.45 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 91911673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).