2-methyl-1-propyl-N-(1H-pyrazol-5-ylmethyl)imidazole-4-sulfonamide

C11H17N5O2S — CID 55030726

IUPAC2-methyl-1-propyl-N-(1H-pyrazol-5-ylmethyl)imidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCc2ccn[nH]2)nc1C
InChIInChI=1S/C11H17N5O2S/c1-3-6-16-8-11(14-9(16)2)19(17,18)13-7-10-4-5-12-15-10/h4-5,8,13H,3,6-7H2,1-2H3,(H,12,15)
InChIKeyCRFYXKXMXRWORL-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.80
Rot. Bonds6

About 2-methyl-1-propyl-N-(1H-pyrazol-5-ylmethyl)imidazole-4-sulfonamide

2-methyl-1-propyl-N-(1H-pyrazol-5-ylmethyl)imidazole-4-sulfonamide (PubChem CID 55030726) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-methyl-1-propyl-N-(1H-pyrazol-5-ylmethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name2-methyl-1-propyl-N-(1H-pyrazol-5-ylmethyl)imidazole-4-sulfonamide
PubChem CID55030726
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name2-methyl-1-propyl-N-(1H-pyrazol-5-ylmethyl)imidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCc2ccn[nH]2)nc1C
InChIInChI=1S/C11H17N5O2S/c1-3-6-16-8-11(14-9(16)2)19(17,18)13-7-10-4-5-12-15-10/h4-5,8,13H,3,6-7H2,1-2H3,(H,12,15)
InChIKeyCRFYXKXMXRWORL-UHFFFAOYSA-N
XLogP0.80
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propyl-N-(1H-pyrazol-5-ylmethyl)imidazole-4-sulfonamide?
The IUPAC name of 2-methyl-1-propyl-N-(1H-pyrazol-5-ylmethyl)imidazole-4-sulfonamide (CID 55030726) is 2-methyl-1-propyl-N-(1H-pyrazol-5-ylmethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 2-methyl-1-propyl-N-(1H-pyrazol-5-ylmethyl)imidazole-4-sulfonamide?
The canonical SMILES for 2-methyl-1-propyl-N-(1H-pyrazol-5-ylmethyl)imidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCc2ccn[nH]2)nc1C.
What is the InChIKey of 2-methyl-1-propyl-N-(1H-pyrazol-5-ylmethyl)imidazole-4-sulfonamide?
The InChIKey is CRFYXKXMXRWORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-3-6-16-8-11(14-9(16)2)19(17,18)13-7-10-4-5-12-15-10/h4-5,8,13H,3,6-7H2,1-2H3,(H,12,15).
What are the key properties of 2-methyl-1-propyl-N-(1H-pyrazol-5-ylmethyl)imidazole-4-sulfonamide?
2-methyl-1-propyl-N-(1H-pyrazol-5-ylmethyl)imidazole-4-sulfonamide has a molecular weight of 283.36 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propyl-N-(1H-pyrazol-5-ylmethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 55030726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).