N-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide

C16H26N4O2 — CID 128858318

IUPACN-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide
SMILESCCC1CN(C(=O)Nc2cn(C)nc2C2CC2)CC(CC)O1
InChIInChI=1S/C16H26N4O2/c1-4-12-8-20(9-13(5-2)22-12)16(21)17-14-10-19(3)18-15(14)11-6-7-11/h10-13H,4-9H2,1-3H3,(H,17,21)
InChIKeyPBOLIVALAYWMPX-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.72
Rot. Bonds4

About N-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide

N-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide (PubChem CID 128858318) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide
PubChem CID128858318
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide
SMILESCCC1CN(C(=O)Nc2cn(C)nc2C2CC2)CC(CC)O1
InChIInChI=1S/C16H26N4O2/c1-4-12-8-20(9-13(5-2)22-12)16(21)17-14-10-19(3)18-15(14)11-6-7-11/h10-13H,4-9H2,1-3H3,(H,17,21)
InChIKeyPBOLIVALAYWMPX-UHFFFAOYSA-N
XLogP2.72
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide?
The IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide (CID 128858318) is N-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide.
What is the SMILES notation for N-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide?
The canonical SMILES for N-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide is CCC1CN(C(=O)Nc2cn(C)nc2C2CC2)CC(CC)O1.
What is the InChIKey of N-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide?
The InChIKey is PBOLIVALAYWMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-4-12-8-20(9-13(5-2)22-12)16(21)17-14-10-19(3)18-15(14)11-6-7-11/h10-13H,4-9H2,1-3H3,(H,17,21).
What are the key properties of N-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide?
N-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide is sourced from PubChem (CID 128858318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).