1-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]imidazole-4-sulfonamide

C11H15N5O3S — CID 72719686

IUPAC1-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2cnn(C3CCOC3)c2)c1
InChIInChI=1S/C11H15N5O3S/c1-15-6-11(12-8-15)20(17,18)14-9-4-13-16(5-9)10-2-3-19-7-10/h4-6,8,10,14H,2-3,7H2,1H3
InChIKeyFQBBIXJLSNWGET-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.38
Rot. Bonds4

About 1-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]imidazole-4-sulfonamide

1-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]imidazole-4-sulfonamide (PubChem CID 72719686) has the molecular formula C11H15N5O3S and a molecular weight of 297.34 g/mol. Its IUPAC name is 1-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]imidazole-4-sulfonamide
PubChem CID72719686
Molecular FormulaC11H15N5O3S
Molecular Weight297.34 g/mol
Exact Mass297.09
IUPAC Name1-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2cnn(C3CCOC3)c2)c1
InChIInChI=1S/C11H15N5O3S/c1-15-6-11(12-8-15)20(17,18)14-9-4-13-16(5-9)10-2-3-19-7-10/h4-6,8,10,14H,2-3,7H2,1H3
InChIKeyFQBBIXJLSNWGET-UHFFFAOYSA-N
XLogP0.38
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]imidazole-4-sulfonamide (CID 72719686) is 1-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2cnn(C3CCOC3)c2)c1.
What is the InChIKey of 1-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]imidazole-4-sulfonamide?
The InChIKey is FQBBIXJLSNWGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S/c1-15-6-11(12-8-15)20(17,18)14-9-4-13-16(5-9)10-2-3-19-7-10/h4-6,8,10,14H,2-3,7H2,1H3.
What are the key properties of 1-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]imidazole-4-sulfonamide?
1-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]imidazole-4-sulfonamide has a molecular weight of 297.34 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]imidazole-4-sulfonamide is sourced from PubChem (CID 72719686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).