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

C11H15N5O2S — CID 53145357

IUPAC5-(1-ethylpyrazol-4-yl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCn1cc(S(=O)(=O)N2CCc3nc[nH]c3C2)cn1
InChIInChI=1S/C11H15N5O2S/c1-2-15-6-9(5-14-15)19(17,18)16-4-3-10-11(7-16)13-8-12-10/h5-6,8H,2-4,7H2,1H3,(H,12,13)
InChIKeyZQXLJIQRBQBCCB-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.37
Rot. Bonds3

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

5-(1-ethylpyrazol-4-yl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 53145357) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 5-(1-ethylpyrazol-4-yl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(1-ethylpyrazol-4-yl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID53145357
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name5-(1-ethylpyrazol-4-yl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCn1cc(S(=O)(=O)N2CCc3nc[nH]c3C2)cn1
InChIInChI=1S/C11H15N5O2S/c1-2-15-6-9(5-14-15)19(17,18)16-4-3-10-11(7-16)13-8-12-10/h5-6,8H,2-4,7H2,1H3,(H,12,13)
InChIKeyZQXLJIQRBQBCCB-UHFFFAOYSA-N
XLogP0.37
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrazol-4-yl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-(1-ethylpyrazol-4-yl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 53145357) is 5-(1-ethylpyrazol-4-yl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-(1-ethylpyrazol-4-yl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-(1-ethylpyrazol-4-yl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CCn1cc(S(=O)(=O)N2CCc3nc[nH]c3C2)cn1.
What is the InChIKey of 5-(1-ethylpyrazol-4-yl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is ZQXLJIQRBQBCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-2-15-6-9(5-14-15)19(17,18)16-4-3-10-11(7-16)13-8-12-10/h5-6,8H,2-4,7H2,1H3,(H,12,13).
What are the key properties of 5-(1-ethylpyrazol-4-yl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-(1-ethylpyrazol-4-yl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 281.34 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrazol-4-yl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 53145357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).