2-morpholin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide

C19H20N4O2S — CID 156574583

IUPAC2-morpholin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide
SMILESO=C(NCc1cc(-c2cccs2)n[nH]1)c1ccccc1N1CCOCC1
InChIInChI=1S/C19H20N4O2S/c24-19(15-4-1-2-5-17(15)23-7-9-25-10-8-23)20-13-14-12-16(22-21-14)18-6-3-11-26-18/h1-6,11-12H,7-10,13H2,(H,20,24)(H,21,22)
InChIKeyVZAZUBMIQXKTQF-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.90
Rot. Bonds5

About 2-morpholin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide

2-morpholin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide (PubChem CID 156574583) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide
PubChem CID156574583
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name2-morpholin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide
SMILESO=C(NCc1cc(-c2cccs2)n[nH]1)c1ccccc1N1CCOCC1
InChIInChI=1S/C19H20N4O2S/c24-19(15-4-1-2-5-17(15)23-7-9-25-10-8-23)20-13-14-12-16(22-21-14)18-6-3-11-26-18/h1-6,11-12H,7-10,13H2,(H,20,24)(H,21,22)
InChIKeyVZAZUBMIQXKTQF-UHFFFAOYSA-N
XLogP2.90
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide?
The IUPAC name of 2-morpholin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide (CID 156574583) is 2-morpholin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-morpholin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide is O=C(NCc1cc(-c2cccs2)n[nH]1)c1ccccc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide?
The InChIKey is VZAZUBMIQXKTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-19(15-4-1-2-5-17(15)23-7-9-25-10-8-23)20-13-14-12-16(22-21-14)18-6-3-11-26-18/h1-6,11-12H,7-10,13H2,(H,20,24)(H,21,22).
What are the key properties of 2-morpholin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide?
2-morpholin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide has a molecular weight of 368.46 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide is sourced from PubChem (CID 156574583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).