4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(4-fluorophenyl)morpholine

C15H18FN3O3S — CID 110663909

IUPAC4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(4-fluorophenyl)morpholine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCOCC1c1ccc(F)cc1
InChIInChI=1S/C15H18FN3O3S/c1-10-15(11(2)18-17-10)23(20,21)19-7-8-22-9-14(19)12-3-5-13(16)6-4-12/h3-6,14H,7-9H2,1-2H3,(H,17,18)
InChIKeyQGRSHVOFYKIQJF-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.93
Rot. Bonds3

About 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(4-fluorophenyl)morpholine

4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(4-fluorophenyl)morpholine (PubChem CID 110663909) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(4-fluorophenyl)morpholine.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(4-fluorophenyl)morpholine
PubChem CID110663909
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC Name4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(4-fluorophenyl)morpholine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCOCC1c1ccc(F)cc1
InChIInChI=1S/C15H18FN3O3S/c1-10-15(11(2)18-17-10)23(20,21)19-7-8-22-9-14(19)12-3-5-13(16)6-4-12/h3-6,14H,7-9H2,1-2H3,(H,17,18)
InChIKeyQGRSHVOFYKIQJF-UHFFFAOYSA-N
XLogP1.93
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(4-fluorophenyl)morpholine?
The IUPAC name of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(4-fluorophenyl)morpholine (CID 110663909) is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(4-fluorophenyl)morpholine.
What is the SMILES notation for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(4-fluorophenyl)morpholine?
The canonical SMILES for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(4-fluorophenyl)morpholine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCOCC1c1ccc(F)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(4-fluorophenyl)morpholine?
The InChIKey is QGRSHVOFYKIQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3S/c1-10-15(11(2)18-17-10)23(20,21)19-7-8-22-9-14(19)12-3-5-13(16)6-4-12/h3-6,14H,7-9H2,1-2H3,(H,17,18).
What are the key properties of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(4-fluorophenyl)morpholine?
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(4-fluorophenyl)morpholine has a molecular weight of 339.39 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(4-fluorophenyl)morpholine is sourced from PubChem (CID 110663909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).