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

C17H21N3O4S — CID 1248973

IUPAC(3,5-dimethylpyrazol-1-yl)-(4-methyl-3-morpholin-4-ylsulfonylphenyl)methanone
SMILESCc1cc(C)n(C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)n1
InChIInChI=1S/C17H21N3O4S/c1-12-4-5-15(17(21)20-14(3)10-13(2)18-20)11-16(12)25(22,23)19-6-8-24-9-7-19/h4-5,10-11H,6-9H2,1-3H3
InChIKeyQHDNKISSSZEHNV-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.52
Rot. Bonds3

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

(3,5-dimethylpyrazol-1-yl)-(4-methyl-3-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 1248973) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-(4-methyl-3-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-(4-methyl-3-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID1248973
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name(3,5-dimethylpyrazol-1-yl)-(4-methyl-3-morpholin-4-ylsulfonylphenyl)methanone
SMILESCc1cc(C)n(C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)n1
InChIInChI=1S/C17H21N3O4S/c1-12-4-5-15(17(21)20-14(3)10-13(2)18-20)11-16(12)25(22,23)19-6-8-24-9-7-19/h4-5,10-11H,6-9H2,1-3H3
InChIKeyQHDNKISSSZEHNV-UHFFFAOYSA-N
XLogP1.52
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(4-Methylphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155550206
(3,5-dimethyl-1H-pyrazol-1-yl)(4-(pyrrolidin-1-ylsulfonyl)phenyl)methanone
CID 975014
4-({3-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]phenyl}sulfonyl)morpholine
CID 1526370
(3,5-Dimethylpyrazol-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 2130720
4-{[3-({3,5-dimethyl-4-[(4-methylphenyl)thio]-1H-pyrazol-1-yl}carbonyl)phenyl]sulfonyl}morpholine
CID 2208041
3,5-Dimethylpyrazolyl 4-{[(oxolan-2-ylmethyl)amino]sulfonyl}phenyl ketone
CID 2946188
4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4162856
4-{[1-(3-chlorobenzoyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}morpholine
CID 7216888
4-{[1-(3-fluorobenzoyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}morpholine
CID 16029645
4-[3-(Morpholine-4-carbonyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
CID 155526366
2-(3-methyl-5-phenylpyrazole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 155556415
(3,5-Dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 978267

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)-(4-methyl-3-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-(4-methyl-3-morpholin-4-ylsulfonylphenyl)methanone (CID 1248973) is (3,5-dimethylpyrazol-1-yl)-(4-methyl-3-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-(4-methyl-3-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-(4-methyl-3-morpholin-4-ylsulfonylphenyl)methanone is Cc1cc(C)n(C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)n1.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-(4-methyl-3-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is QHDNKISSSZEHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-12-4-5-15(17(21)20-14(3)10-13(2)18-20)11-16(12)25(22,23)19-6-8-24-9-7-19/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-(4-methyl-3-morpholin-4-ylsulfonylphenyl)methanone?
(3,5-dimethylpyrazol-1-yl)-(4-methyl-3-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 363.44 g/mol, XLogP of 1.52, 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-methyl-3-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 1248973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).