5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C11H15N5O2S — CID 53145337

IUPAC5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C11H15N5O2S/c1-7-11(8(2)15-14-7)19(17,18)16-4-3-9-10(5-16)13-6-12-9/h6H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyHVSBJIYEYAJBAC-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.50
Rot. Bonds2

About 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 53145337) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID53145337
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C11H15N5O2S/c1-7-11(8(2)15-14-7)19(17,18)16-4-3-9-10(5-16)13-6-12-9/h6H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyHVSBJIYEYAJBAC-UHFFFAOYSA-N
XLogP0.50
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 53145337) is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCc2nc[nH]c2C1.
What is the InChIKey of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is HVSBJIYEYAJBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-7-11(8(2)15-14-7)19(17,18)16-4-3-9-10(5-16)13-6-12-9/h6H,3-5H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 281.34 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 53145337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).