4-(3-methyl-1-phenylpyrazol-4-yl)sulfonylmorpholine

C14H17N3O3S — CID 42283183

IUPAC4-(3-methyl-1-phenylpyrazol-4-yl)sulfonylmorpholine
SMILESCc1nn(-c2ccccc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H17N3O3S/c1-12-14(21(18,19)16-7-9-20-10-8-16)11-17(15-12)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3
InChIKeyPHJIRAUXJCFFCW-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.20
Rot. Bonds3

About 4-(3-methyl-1-phenylpyrazol-4-yl)sulfonylmorpholine

4-(3-methyl-1-phenylpyrazol-4-yl)sulfonylmorpholine (PubChem CID 42283183) has the molecular formula C14H17N3O3S and a molecular weight of 307.37 g/mol. Its IUPAC name is 4-(3-methyl-1-phenylpyrazol-4-yl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(3-methyl-1-phenylpyrazol-4-yl)sulfonylmorpholine
PubChem CID42283183
Molecular FormulaC14H17N3O3S
Molecular Weight307.37 g/mol
Exact Mass307.10
IUPAC Name4-(3-methyl-1-phenylpyrazol-4-yl)sulfonylmorpholine
SMILESCc1nn(-c2ccccc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H17N3O3S/c1-12-14(21(18,19)16-7-9-20-10-8-16)11-17(15-12)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3
InChIKeyPHJIRAUXJCFFCW-UHFFFAOYSA-N
XLogP1.20
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55932656
1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylpiperidine
CID 42284578
1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole
CID 42348986
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-methylpiperidine
CID 42349000
1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-methylpiperidine
CID 42284583
5-morpholin-4-ylsulfonyl-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-2-amine
CID 133380160
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
2-morpholin-4-ylsulfonylphenol
CID 79020270
N-benzyl-3-methyl-1-phenyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 42283152
N-benzyl-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283268
2-morpholin-4-ylsulfonylbenzenesulfonamide
CID 43342653

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1-phenylpyrazol-4-yl)sulfonylmorpholine?
The IUPAC name of 4-(3-methyl-1-phenylpyrazol-4-yl)sulfonylmorpholine (CID 42283183) is 4-(3-methyl-1-phenylpyrazol-4-yl)sulfonylmorpholine.
What is the SMILES notation for 4-(3-methyl-1-phenylpyrazol-4-yl)sulfonylmorpholine?
The canonical SMILES for 4-(3-methyl-1-phenylpyrazol-4-yl)sulfonylmorpholine is Cc1nn(-c2ccccc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-(3-methyl-1-phenylpyrazol-4-yl)sulfonylmorpholine?
The InChIKey is PHJIRAUXJCFFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-12-14(21(18,19)16-7-9-20-10-8-16)11-17(15-12)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3.
What are the key properties of 4-(3-methyl-1-phenylpyrazol-4-yl)sulfonylmorpholine?
4-(3-methyl-1-phenylpyrazol-4-yl)sulfonylmorpholine has a molecular weight of 307.37 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1-phenylpyrazol-4-yl)sulfonylmorpholine is sourced from PubChem (CID 42283183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).