2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone

C17H17ClN6O2 — CID 129487298

IUPAC2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
SMILESO=C(Cn1cc(Cl)cn1)N1CCOC[C@@H]1c1ncnn1-c1ccccc1
InChIInChI=1S/C17H17ClN6O2/c18-13-8-20-22(9-13)10-16(25)23-6-7-26-11-15(23)17-19-12-21-24(17)14-4-2-1-3-5-14/h1-5,8-9,12,15H,6-7,10-11H2/t15-/m1/s1
InChIKeyHHRKVKUROJABCU-OAHLLOKOSA-N
MW372.82 g/mol
LogP1.72
Rot. Bonds4

About 2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone

2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone (PubChem CID 129487298) has the molecular formula C17H17ClN6O2 and a molecular weight of 372.82 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
PubChem CID129487298
Molecular FormulaC17H17ClN6O2
Molecular Weight372.82 g/mol
Exact Mass372.11
IUPAC Name2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
SMILESO=C(Cn1cc(Cl)cn1)N1CCOC[C@@H]1c1ncnn1-c1ccccc1
InChIInChI=1S/C17H17ClN6O2/c18-13-8-20-22(9-13)10-16(25)23-6-7-26-11-15(23)17-19-12-21-24(17)14-4-2-1-3-5-14/h1-5,8-9,12,15H,6-7,10-11H2/t15-/m1/s1
InChIKeyHHRKVKUROJABCU-OAHLLOKOSA-N
XLogP1.72
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone (CID 129487298) is 2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone is O=C(Cn1cc(Cl)cn1)N1CCOC[C@@H]1c1ncnn1-c1ccccc1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
The InChIKey is HHRKVKUROJABCU-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17ClN6O2/c18-13-8-20-22(9-13)10-16(25)23-6-7-26-11-15(23)17-19-12-21-24(17)14-4-2-1-3-5-14/h1-5,8-9,12,15H,6-7,10-11H2/t15-/m1/s1.
What are the key properties of 2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone has a molecular weight of 372.82 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 129487298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).