(2S)-2-benzyl-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]morpholine-4-carboxamide

C19H26N4O2 — CID 97336903

IUPAC(2S)-2-benzyl-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]morpholine-4-carboxamide
SMILESC[C@H](CNC(=O)N1CCO[C@@H](Cc2ccccc2)C1)Cn1cccn1
InChIInChI=1S/C19H26N4O2/c1-16(14-23-9-5-8-21-23)13-20-19(24)22-10-11-25-18(15-22)12-17-6-3-2-4-7-17/h2-9,16,18H,10-15H2,1H3,(H,20,24)/t16-,18+/m1/s1
InChIKeySSOXSSRKPRCALJ-AEFFLSMTSA-N
MW342.44 g/mol
LogP2.17
Rot. Bonds6

About (2S)-2-benzyl-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]morpholine-4-carboxamide

(2S)-2-benzyl-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]morpholine-4-carboxamide (PubChem CID 97336903) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2S)-2-benzyl-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-benzyl-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]morpholine-4-carboxamide
PubChem CID97336903
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2S)-2-benzyl-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]morpholine-4-carboxamide
SMILESC[C@H](CNC(=O)N1CCO[C@@H](Cc2ccccc2)C1)Cn1cccn1
InChIInChI=1S/C19H26N4O2/c1-16(14-23-9-5-8-21-23)13-20-19(24)22-10-11-25-18(15-22)12-17-6-3-2-4-7-17/h2-9,16,18H,10-15H2,1H3,(H,20,24)/t16-,18+/m1/s1
InChIKeySSOXSSRKPRCALJ-AEFFLSMTSA-N
XLogP2.17
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)morpholine-4-carboxamide
CID 75445416
1-[(2S)-2-benzylmorpholin-4-yl]-2-pyrazol-1-ylethanone
CID 42508590
(2R)-2-(1-ethylpyrazol-4-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]morpholine-4-carboxamide
CID 99833787
(2R)-2-benzyl-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
CID 97336922
N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 129379800
N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 129379799
2-benzyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide
CID 75445414
(3R)-3-anilino-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide
CID 97228827
(2S)-2-benzyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide
CID 97336914
2-benzyl-N-(1-cyclopropylethyl)morpholine-4-carboxamide
CID 75445413
4-(1-hydroxyethyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 111438395
(2R)-2-benzyl-N-[(1S)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide
CID 97337265

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]morpholine-4-carboxamide?
The IUPAC name of (2S)-2-benzyl-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]morpholine-4-carboxamide (CID 97336903) is (2S)-2-benzyl-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-benzyl-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-benzyl-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]morpholine-4-carboxamide is C[C@H](CNC(=O)N1CCO[C@@H](Cc2ccccc2)C1)Cn1cccn1.
What is the InChIKey of (2S)-2-benzyl-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]morpholine-4-carboxamide?
The InChIKey is SSOXSSRKPRCALJ-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-16(14-23-9-5-8-21-23)13-20-19(24)22-10-11-25-18(15-22)12-17-6-3-2-4-7-17/h2-9,16,18H,10-15H2,1H3,(H,20,24)/t16-,18+/m1/s1.
What are the key properties of (2S)-2-benzyl-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]morpholine-4-carboxamide?
(2S)-2-benzyl-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]morpholine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]morpholine-4-carboxamide is sourced from PubChem (CID 97336903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).