(3,5-dimethylpyrazol-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone

C16H19N3O4S — CID 711749

IUPAC(3,5-dimethylpyrazol-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESCc1cc(C)n(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C16H19N3O4S/c1-12-11-13(2)19(17-12)16(20)14-3-5-15(6-4-14)24(21,22)18-7-9-23-10-8-18/h3-6,11H,7-10H2,1-2H3
InChIKeyCTEIHLNJVCMPDR-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.21
Rot. Bonds3

About (3,5-dimethylpyrazol-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone

(3,5-dimethylpyrazol-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 711749) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID711749
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name(3,5-dimethylpyrazol-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESCc1cc(C)n(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C16H19N3O4S/c1-12-11-13(2)19(17-12)16(20)14-3-5-15(6-4-14)24(21,22)18-7-9-23-10-8-18/h3-6,11H,7-10H2,1-2H3
InChIKeyCTEIHLNJVCMPDR-UHFFFAOYSA-N
XLogP1.21
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone (CID 711749) is (3,5-dimethylpyrazol-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone is Cc1cc(C)n(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is CTEIHLNJVCMPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-12-11-13(2)19(17-12)16(20)14-3-5-15(6-4-14)24(21,22)18-7-9-23-10-8-18/h3-6,11H,7-10H2,1-2H3.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone?
(3,5-dimethylpyrazol-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 349.41 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 711749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).