4-(5-methylpyrazol-1-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide

C23H26N4O2 — CID 9266746

IUPAC4-(5-methylpyrazol-1-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
SMILESCc1ccnn1-c1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C23H26N4O2/c1-18-10-11-25-27(18)22-8-6-19(7-9-22)23(28)24-16-20-4-2-3-5-21(20)17-26-12-14-29-15-13-26/h2-11H,12-17H2,1H3,(H,24,28)
InChIKeyOUBZDLLOPZVXIE-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.94
Rot. Bonds6

About 4-(5-methylpyrazol-1-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide

4-(5-methylpyrazol-1-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide (PubChem CID 9266746) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-(5-methylpyrazol-1-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(5-methylpyrazol-1-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
PubChem CID9266746
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name4-(5-methylpyrazol-1-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
SMILESCc1ccnn1-c1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C23H26N4O2/c1-18-10-11-25-27(18)22-8-6-19(7-9-22)23(28)24-16-20-4-2-3-5-21(20)17-26-12-14-29-15-13-26/h2-11H,12-17H2,1H3,(H,24,28)
InChIKeyOUBZDLLOPZVXIE-UHFFFAOYSA-N
XLogP2.94
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylpyrazol-1-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(5-methylpyrazol-1-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide (CID 9266746) is 4-(5-methylpyrazol-1-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(5-methylpyrazol-1-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(5-methylpyrazol-1-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide is Cc1ccnn1-c1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1.
What is the InChIKey of 4-(5-methylpyrazol-1-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is OUBZDLLOPZVXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-18-10-11-25-27(18)22-8-6-19(7-9-22)23(28)24-16-20-4-2-3-5-21(20)17-26-12-14-29-15-13-26/h2-11H,12-17H2,1H3,(H,24,28).
What are the key properties of 4-(5-methylpyrazol-1-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
4-(5-methylpyrazol-1-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 390.49 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylpyrazol-1-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 9266746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).