1,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide

C9H13N5O2S — CID 62061780

IUPAC1,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NCc2cn[nH]c2)cn1C
InChIInChI=1S/C9H13N5O2S/c1-7-13-9(6-14(7)2)17(15,16)12-5-8-3-10-11-4-8/h3-4,6,12H,5H2,1-2H3,(H,10,11)
InChIKeyXRLUOFCLLPBAPT-UHFFFAOYSA-N
MW255.30 g/mol
LogP-0.07
Rot. Bonds4

About 1,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide

1,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide (PubChem CID 62061780) has the molecular formula C9H13N5O2S and a molecular weight of 255.30 g/mol. Its IUPAC name is 1,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide
PubChem CID62061780
Molecular FormulaC9H13N5O2S
Molecular Weight255.30 g/mol
Exact Mass255.08
IUPAC Name1,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NCc2cn[nH]c2)cn1C
InChIInChI=1S/C9H13N5O2S/c1-7-13-9(6-14(7)2)17(15,16)12-5-8-3-10-11-4-8/h3-4,6,12H,5H2,1-2H3,(H,10,11)
InChIKeyXRLUOFCLLPBAPT-UHFFFAOYSA-N
XLogP-0.07
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide (CID 62061780) is 1,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide is Cc1nc(S(=O)(=O)NCc2cn[nH]c2)cn1C.
What is the InChIKey of 1,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide?
The InChIKey is XRLUOFCLLPBAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S/c1-7-13-9(6-14(7)2)17(15,16)12-5-8-3-10-11-4-8/h3-4,6,12H,5H2,1-2H3,(H,10,11).
What are the key properties of 1,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide?
1,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide has a molecular weight of 255.30 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 62061780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).