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

C15H26N4O2 — CID 118740638

IUPACN,N-diethyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide
SMILESCCN(CC)C(=O)N1CCOCC1c1c(C)nn(C)c1C
InChIInChI=1S/C15H26N4O2/c1-6-18(7-2)15(20)19-8-9-21-10-13(19)14-11(3)16-17(5)12(14)4/h13H,6-10H2,1-5H3
InChIKeyHPFSEUCGLSAZHH-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.87
Rot. Bonds3

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

N,N-diethyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide (PubChem CID 118740638) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N,N-diethyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide
PubChem CID118740638
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN,N-diethyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide
SMILESCCN(CC)C(=O)N1CCOCC1c1c(C)nn(C)c1C
InChIInChI=1S/C15H26N4O2/c1-6-18(7-2)15(20)19-8-9-21-10-13(19)14-11(3)16-17(5)12(14)4/h13H,6-10H2,1-5H3
InChIKeyHPFSEUCGLSAZHH-UHFFFAOYSA-N
XLogP1.87
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide?
The IUPAC name of N,N-diethyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide (CID 118740638) is N,N-diethyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide?
The canonical SMILES for N,N-diethyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide is CCN(CC)C(=O)N1CCOCC1c1c(C)nn(C)c1C.
What is the InChIKey of N,N-diethyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide?
The InChIKey is HPFSEUCGLSAZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-6-18(7-2)15(20)19-8-9-21-10-13(19)14-11(3)16-17(5)12(14)4/h13H,6-10H2,1-5H3.
What are the key properties of N,N-diethyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide?
N,N-diethyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide is sourced from PubChem (CID 118740638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).