3-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzamide

C16H20N4O2 — CID 95299116

IUPAC3-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzamide
SMILESNC(=O)c1cccc(CN2CCO[C@H](Cn3cccn3)C2)c1
InChIInChI=1S/C16H20N4O2/c17-16(21)14-4-1-3-13(9-14)10-19-7-8-22-15(11-19)12-20-6-2-5-18-20/h1-6,9,15H,7-8,10-12H2,(H2,17,21)/t15-/m0/s1
InChIKeyJKDGRSFQDOHYDJ-HNNXBMFYSA-N
MW300.36 g/mol
LogP0.88
Rot. Bonds5

About 3-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzamide

3-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzamide (PubChem CID 95299116) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzamide
PubChem CID95299116
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzamide
SMILESNC(=O)c1cccc(CN2CCO[C@H](Cn3cccn3)C2)c1
InChIInChI=1S/C16H20N4O2/c17-16(21)14-4-1-3-13(9-14)10-19-7-8-22-15(11-19)12-20-6-2-5-18-20/h1-6,9,15H,7-8,10-12H2,(H2,17,21)/t15-/m0/s1
InChIKeyJKDGRSFQDOHYDJ-HNNXBMFYSA-N
XLogP0.88
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzamide 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

3-[[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]benzamide
CID 95274181
tert-butyl N-[3-[[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]phenyl]carbamate
CID 71844322
3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]benzamide
CID 154743427
(2S)-4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95281618
3-[(2-benzylmorpholin-4-yl)methyl]benzoic acid
CID 122032440
(3-aminophenyl)-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride
CID 119881009
3-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzoic acid;dihydrochloride
CID 154906261
4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile
CID 95277532
(2R)-4-[(5-bromothiophen-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95289806
3-[[(2R)-2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]methyl]benzoic acid
CID 99944117
3-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid
CID 110113863
(2R)-4-[(1-phenyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95280498

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzamide?
The IUPAC name of 3-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzamide (CID 95299116) is 3-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzamide.
What is the SMILES notation for 3-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzamide?
The canonical SMILES for 3-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzamide is NC(=O)c1cccc(CN2CCO[C@H](Cn3cccn3)C2)c1.
What is the InChIKey of 3-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzamide?
The InChIKey is JKDGRSFQDOHYDJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N4O2/c17-16(21)14-4-1-3-13(9-14)10-19-7-8-22-15(11-19)12-20-6-2-5-18-20/h1-6,9,15H,7-8,10-12H2,(H2,17,21)/t15-/m0/s1.
What are the key properties of 3-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzamide?
3-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzamide has a molecular weight of 300.36 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzamide is sourced from PubChem (CID 95299116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).