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

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Related Compounds

[(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 124740594
4-[[3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]benzoic acid
CID 122034052
(3R)-3-(2-phenyl-1,2,4-triazol-3-yl)-4-(2-pyridin-2-ylethyl)morpholine
CID 125142323
(3R)-4-(6-chloro-2-methylpyrimidin-4-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine
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(3S)-4-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine
CID 124882906
1-(4-chloropyrazol-1-yl)-3-phenylpropan-2-one
CID 14882325
(3R)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine
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2-(4-chloropyrazol-1-yl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
CID 50747286
2-amino-1-(3-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119337230
1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 75473692
2-phenoxy-1-(3-phenylmorpholin-4-yl)ethanone
CID 110728348
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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).