4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine

C16H25N5O3S — CID 75496307

IUPAC4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine
SMILESCCc1nn(C)c(CC)c1S(=O)(=O)N1CCOC(c2cnn(C)c2)C1
InChIInChI=1S/C16H25N5O3S/c1-5-13-16(14(6-2)20(4)18-13)25(22,23)21-7-8-24-15(11-21)12-9-17-19(3)10-12/h9-10,15H,5-8,11H2,1-4H3
InChIKeyVCIBVDRHNWGFHE-UHFFFAOYSA-N
MW367.48 g/mol
LogP1.04
Rot. Bonds5

About 4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine

4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 75496307) has the molecular formula C16H25N5O3S and a molecular weight of 367.48 g/mol. Its IUPAC name is 4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID75496307
Molecular FormulaC16H25N5O3S
Molecular Weight367.48 g/mol
Exact Mass367.17
IUPAC Name4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine
SMILESCCc1nn(C)c(CC)c1S(=O)(=O)N1CCOC(c2cnn(C)c2)C1
InChIInChI=1S/C16H25N5O3S/c1-5-13-16(14(6-2)20(4)18-13)25(22,23)21-7-8-24-15(11-21)12-9-17-19(3)10-12/h9-10,15H,5-8,11H2,1-4H3
InChIKeyVCIBVDRHNWGFHE-UHFFFAOYSA-N
XLogP1.04
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of 4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine (CID 75496307) is 4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for 4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for 4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine is CCc1nn(C)c(CC)c1S(=O)(=O)N1CCOC(c2cnn(C)c2)C1.
What is the InChIKey of 4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is VCIBVDRHNWGFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3S/c1-5-13-16(14(6-2)20(4)18-13)25(22,23)21-7-8-24-15(11-21)12-9-17-19(3)10-12/h9-10,15H,5-8,11H2,1-4H3.
What are the key properties of 4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine?
4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 367.48 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 75496307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).