4-ethyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide

C17H22N4O2 — CID 71984592

IUPAC4-ethyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide
SMILESCCN1CCOC(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)C1
InChIInChI=1S/C17H22N4O2/c1-2-21-9-10-23-16(12-21)17(22)18-11-13-3-5-14(6-4-13)15-7-8-19-20-15/h3-8,16H,2,9-12H2,1H3,(H,18,22)(H,19,20)
InChIKeyIKLNAIZOLYZVPN-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.41
Rot. Bonds5

About 4-ethyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide

4-ethyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide (PubChem CID 71984592) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-ethyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide
PubChem CID71984592
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name4-ethyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide
SMILESCCN1CCOC(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)C1
InChIInChI=1S/C17H22N4O2/c1-2-21-9-10-23-16(12-21)17(22)18-11-13-3-5-14(6-4-13)15-7-8-19-20-15/h3-8,16H,2,9-12H2,1H3,(H,18,22)(H,19,20)
InChIKeyIKLNAIZOLYZVPN-UHFFFAOYSA-N
XLogP1.41
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-4-carboxamide
CID 95158455
(2S)-2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-4-carboxamide
CID 95158456
5-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]oxolane-3-carboxamide
CID 114826301
3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 102779045
4-[[[(2S)-4-benzylmorpholine-2-carbonyl]amino]methyl]benzoic acid
CID 124703916
4-ethyl-N-[2-(methylamino)ethyl]morpholine-2-carboxamide
CID 119502673
4-hydroxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 61240025
1-(4-ethylmorpholin-2-yl)-2-(4-methylphenyl)ethanone
CID 79666250
(2S)-4-benzyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine-2-carboxamide
CID 95775991
N-cyclopropyl-4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]morpholine-2-carboxamide
CID 163352376
3-acetamido-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-1-carboxamide
CID 51084874
1-(adamantane-1-carbonyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 60556416

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide?
The IUPAC name of 4-ethyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide (CID 71984592) is 4-ethyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide is CCN1CCOC(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)C1.
What is the InChIKey of 4-ethyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide?
The InChIKey is IKLNAIZOLYZVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-2-21-9-10-23-16(12-21)17(22)18-11-13-3-5-14(6-4-13)15-7-8-19-20-15/h3-8,16H,2,9-12H2,1H3,(H,18,22)(H,19,20).
What are the key properties of 4-ethyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide?
4-ethyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 71984592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).