3-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)benzamide

C19H26N4O2 — CID 118781591

IUPAC3-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCCc1nn(C)cc1-c1cccc(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C19H26N4O2/c1-3-18-17(14-22(2)21-18)15-5-4-6-16(13-15)19(24)20-7-8-23-9-11-25-12-10-23/h4-6,13-14H,3,7-12H2,1-2H3,(H,20,24)
InChIKeyQGGJRQOQBPGAHD-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.71
Rot. Bonds6

About 3-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)benzamide

3-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 118781591) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID118781591
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCCc1nn(C)cc1-c1cccc(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C19H26N4O2/c1-3-18-17(14-22(2)21-18)15-5-4-6-16(13-15)19(24)20-7-8-23-9-11-25-12-10-23/h4-6,13-14H,3,7-12H2,1-2H3,(H,20,24)
InChIKeyQGGJRQOQBPGAHD-UHFFFAOYSA-N
XLogP1.71
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)benzamide (CID 118781591) is 3-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)benzamide is CCc1nn(C)cc1-c1cccc(C(=O)NCCN2CCOCC2)c1.
What is the InChIKey of 3-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is QGGJRQOQBPGAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-18-17(14-22(2)21-18)15-5-4-6-16(13-15)19(24)20-7-8-23-9-11-25-12-10-23/h4-6,13-14H,3,7-12H2,1-2H3,(H,20,24).
What are the key properties of 3-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)benzamide?
3-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 342.44 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 118781591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).