1-ethyl-N-methyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide

C10H15N5O2S — CID 79373569

IUPAC1-ethyl-N-methyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)N(C)Cc2cn[nH]c2)c1
InChIInChI=1S/C10H15N5O2S/c1-3-15-7-10(11-8-15)18(16,17)14(2)6-9-4-12-13-5-9/h4-5,7-8H,3,6H2,1-2H3,(H,12,13)
InChIKeyVGAQALFMJSMZQZ-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.45
Rot. Bonds5

About 1-ethyl-N-methyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide

1-ethyl-N-methyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide (PubChem CID 79373569) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-ethyl-N-methyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-methyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide
PubChem CID79373569
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC Name1-ethyl-N-methyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)N(C)Cc2cn[nH]c2)c1
InChIInChI=1S/C10H15N5O2S/c1-3-15-7-10(11-8-15)18(16,17)14(2)6-9-4-12-13-5-9/h4-5,7-8H,3,6H2,1-2H3,(H,12,13)
InChIKeyVGAQALFMJSMZQZ-UHFFFAOYSA-N
XLogP0.45
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-methyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide (CID 79373569) is 1-ethyl-N-methyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-methyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-methyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)N(C)Cc2cn[nH]c2)c1.
What is the InChIKey of 1-ethyl-N-methyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide?
The InChIKey is VGAQALFMJSMZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-3-15-7-10(11-8-15)18(16,17)14(2)6-9-4-12-13-5-9/h4-5,7-8H,3,6H2,1-2H3,(H,12,13).
What are the key properties of 1-ethyl-N-methyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide?
1-ethyl-N-methyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide has a molecular weight of 269.33 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 79373569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).