3-(5-methyl-1H-imidazol-2-yl)-4-(1H-pyrazol-4-ylsulfonyl)morpholine

C11H15N5O3S — CID 110105387

IUPAC3-(5-methyl-1H-imidazol-2-yl)-4-(1H-pyrazol-4-ylsulfonyl)morpholine
SMILESCc1cnc(C2COCCN2S(=O)(=O)c2cn[nH]c2)[nH]1
InChIInChI=1S/C11H15N5O3S/c1-8-4-12-11(15-8)10-7-19-3-2-16(10)20(17,18)9-5-13-14-6-9/h4-6,10H,2-3,7H2,1H3,(H,12,15)(H,13,14)
InChIKeyKWUKBUNJLQXNBL-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.20
Rot. Bonds3

About 3-(5-methyl-1H-imidazol-2-yl)-4-(1H-pyrazol-4-ylsulfonyl)morpholine

3-(5-methyl-1H-imidazol-2-yl)-4-(1H-pyrazol-4-ylsulfonyl)morpholine (PubChem CID 110105387) has the molecular formula C11H15N5O3S and a molecular weight of 297.34 g/mol. Its IUPAC name is 3-(5-methyl-1H-imidazol-2-yl)-4-(1H-pyrazol-4-ylsulfonyl)morpholine.

Molecular Properties

Compound Name3-(5-methyl-1H-imidazol-2-yl)-4-(1H-pyrazol-4-ylsulfonyl)morpholine
PubChem CID110105387
Molecular FormulaC11H15N5O3S
Molecular Weight297.34 g/mol
Exact Mass297.09
IUPAC Name3-(5-methyl-1H-imidazol-2-yl)-4-(1H-pyrazol-4-ylsulfonyl)morpholine
SMILESCc1cnc(C2COCCN2S(=O)(=O)c2cn[nH]c2)[nH]1
InChIInChI=1S/C11H15N5O3S/c1-8-4-12-11(15-8)10-7-19-3-2-16(10)20(17,18)9-5-13-14-6-9/h4-6,10H,2-3,7H2,1H3,(H,12,15)(H,13,14)
InChIKeyKWUKBUNJLQXNBL-UHFFFAOYSA-N
XLogP0.20
TPSA103.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-imidazol-2-yl)-4-(1H-pyrazol-4-ylsulfonyl)morpholine?
The IUPAC name of 3-(5-methyl-1H-imidazol-2-yl)-4-(1H-pyrazol-4-ylsulfonyl)morpholine (CID 110105387) is 3-(5-methyl-1H-imidazol-2-yl)-4-(1H-pyrazol-4-ylsulfonyl)morpholine.
What is the SMILES notation for 3-(5-methyl-1H-imidazol-2-yl)-4-(1H-pyrazol-4-ylsulfonyl)morpholine?
The canonical SMILES for 3-(5-methyl-1H-imidazol-2-yl)-4-(1H-pyrazol-4-ylsulfonyl)morpholine is Cc1cnc(C2COCCN2S(=O)(=O)c2cn[nH]c2)[nH]1.
What is the InChIKey of 3-(5-methyl-1H-imidazol-2-yl)-4-(1H-pyrazol-4-ylsulfonyl)morpholine?
The InChIKey is KWUKBUNJLQXNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S/c1-8-4-12-11(15-8)10-7-19-3-2-16(10)20(17,18)9-5-13-14-6-9/h4-6,10H,2-3,7H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 3-(5-methyl-1H-imidazol-2-yl)-4-(1H-pyrazol-4-ylsulfonyl)morpholine?
3-(5-methyl-1H-imidazol-2-yl)-4-(1H-pyrazol-4-ylsulfonyl)morpholine has a molecular weight of 297.34 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-imidazol-2-yl)-4-(1H-pyrazol-4-ylsulfonyl)morpholine is sourced from PubChem (CID 110105387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).