2-benzyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide

C17H22N4O2 — CID 75445414

IUPAC2-benzyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide
SMILESCn1nccc1CNC(=O)N1CCOC(Cc2ccccc2)C1
InChIInChI=1S/C17H22N4O2/c1-20-15(7-8-19-20)12-18-17(22)21-9-10-23-16(13-21)11-14-5-3-2-4-6-14/h2-8,16H,9-13H2,1H3,(H,18,22)
InChIKeyPKBGZNPMMIXDFM-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.57
Rot. Bonds4

About 2-benzyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide

2-benzyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide (PubChem CID 75445414) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-benzyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide
PubChem CID75445414
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-benzyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide
SMILESCn1nccc1CNC(=O)N1CCOC(Cc2ccccc2)C1
InChIInChI=1S/C17H22N4O2/c1-20-15(7-8-19-20)12-18-17(22)21-9-10-23-16(13-21)11-14-5-3-2-4-6-14/h2-8,16H,9-13H2,1H3,(H,18,22)
InChIKeyPKBGZNPMMIXDFM-UHFFFAOYSA-N
XLogP1.57
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-benzyl-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
CID 97336922
2-benzyl-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide
CID 84596545
2-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)morpholine-4-carboxamide
CID 75445416
(2S)-2-benzyl-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]morpholine-4-carboxamide
CID 97336903
2-benzyl-N-(3-fluoropropyl)morpholine-4-carboxamide
CID 84596460
1-[(2R)-2-benzylmorpholin-4-yl]-2-(dimethylamino)ethanone
CID 124615413
(2R)-2-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide
CID 97336828
(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide
CID 129473669
1-[(2S)-2-benzylmorpholin-4-yl]-2-pyrazol-1-ylethanone
CID 42508590
2-benzyl-N-(1-cyclopropylethyl)morpholine-4-carboxamide
CID 75445413
(2R)-2-benzyl-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]morpholine-4-carboxamide
CID 97337261
(2R)-2-benzyl-N-[(1S)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide
CID 97337265

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of 2-benzyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide (CID 75445414) is 2-benzyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for 2-benzyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide is Cn1nccc1CNC(=O)N1CCOC(Cc2ccccc2)C1.
What is the InChIKey of 2-benzyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide?
The InChIKey is PKBGZNPMMIXDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-20-15(7-8-19-20)12-18-17(22)21-9-10-23-16(13-21)11-14-5-3-2-4-6-14/h2-8,16H,9-13H2,1H3,(H,18,22).
What are the key properties of 2-benzyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide?
2-benzyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 75445414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).