N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide

C12H20N4O2 — CID 118740635

IUPACN-methyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide
SMILESCNC(=O)N1CCOCC1c1c(C)nn(C)c1C
InChIInChI=1S/C12H20N4O2/c1-8-11(9(2)15(4)14-8)10-7-18-6-5-16(10)12(17)13-3/h10H,5-7H2,1-4H3,(H,13,17)
InChIKeySSBUJKAWFKOUQG-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.75
Rot. Bonds1

About N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide

N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide (PubChem CID 118740635) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide
PubChem CID118740635
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-methyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide
SMILESCNC(=O)N1CCOCC1c1c(C)nn(C)c1C
InChIInChI=1S/C12H20N4O2/c1-8-11(9(2)15(4)14-8)10-7-18-6-5-16(10)12(17)13-3/h10H,5-7H2,1-4H3,(H,13,17)
InChIKeySSBUJKAWFKOUQG-UHFFFAOYSA-N
XLogP0.75
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide?
The IUPAC name of N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide (CID 118740635) is N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide?
The canonical SMILES for N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide is CNC(=O)N1CCOCC1c1c(C)nn(C)c1C.
What is the InChIKey of N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide?
The InChIKey is SSBUJKAWFKOUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-11(9(2)15(4)14-8)10-7-18-6-5-16(10)12(17)13-3/h10H,5-7H2,1-4H3,(H,13,17).
What are the key properties of N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide?
N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide is sourced from PubChem (CID 118740635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).