2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide

C13H22N4O2 — CID 75499423

IUPAC2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide
SMILESCCCn1cc(NC(=O)N2CCOC(C)C2C)cn1
InChIInChI=1S/C13H22N4O2/c1-4-5-16-9-12(8-14-16)15-13(18)17-6-7-19-11(3)10(17)2/h8-11H,4-7H2,1-3H3,(H,15,18)
InChIKeyMTTKJYXLAFRNNS-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.93
Rot. Bonds3

About 2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide

2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide (PubChem CID 75499423) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide
PubChem CID75499423
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide
SMILESCCCn1cc(NC(=O)N2CCOC(C)C2C)cn1
InChIInChI=1S/C13H22N4O2/c1-4-5-16-9-12(8-14-16)15-13(18)17-6-7-19-11(3)10(17)2/h8-11H,4-7H2,1-3H3,(H,15,18)
InChIKeyMTTKJYXLAFRNNS-UHFFFAOYSA-N
XLogP1.93
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide?
The IUPAC name of 2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide (CID 75499423) is 2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide is CCCn1cc(NC(=O)N2CCOC(C)C2C)cn1.
What is the InChIKey of 2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide?
The InChIKey is MTTKJYXLAFRNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-5-16-9-12(8-14-16)15-13(18)17-6-7-19-11(3)10(17)2/h8-11H,4-7H2,1-3H3,(H,15,18).
What are the key properties of 2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide?
2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide has a molecular weight of 266.34 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 2,3-dimethyl-N-(1-propylpyrazol-4-yl)morpholine-4-carboxamide is sourced from PubChem (CID 75499423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).