1-[1-(3-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone

C19H18ClN5O2 — CID 160713811

IUPAC1-[1-(3-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
SMILESO=C(Cc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2nccnc2Cl)n1
InChIInChI=1S/C19H18ClN5O2/c20-18-19(23-7-6-22-18)25-9-5-15(24-25)16(26)11-13-1-3-14(4-2-13)17-12-21-8-10-27-17/h1-7,9,17,21H,8,10-12H2/t17-/m1/s1
InChIKeyRSEWVRUTEJRLHA-QGZVFWFLSA-N
MW383.84 g/mol
LogP2.40
Rot. Bonds5

About 1-[1-(3-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone

1-[1-(3-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone (PubChem CID 160713811) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is 1-[1-(3-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[1-(3-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
PubChem CID160713811
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC Name1-[1-(3-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
SMILESO=C(Cc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2nccnc2Cl)n1
InChIInChI=1S/C19H18ClN5O2/c20-18-19(23-7-6-22-18)25-9-5-15(24-25)16(26)11-13-1-3-14(4-2-13)17-12-21-8-10-27-17/h1-7,9,17,21H,8,10-12H2/t17-/m1/s1
InChIKeyRSEWVRUTEJRLHA-QGZVFWFLSA-N
XLogP2.40
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-chloropyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
CID 89262472
1-[1-(5-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone;hydrochloride
CID 160959790
1-(6-chloro-3-pyridinyl)-2-[4-[(2R)-morpholin-2-yl]phenyl]ethanone
CID 58315544
1-[1-(5-chloropyrimidin-2-yl)pyrazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 158287543
3-[4-[2-[4-[(2S)-morpholin-2-yl]phenyl]acetyl]pyrazol-1-yl]pyrazine-2-carbonitrile
CID 159609526
1-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 175893602
1-[2-(4-fluorophenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 159692507
2-(4-morpholin-2-ylphenyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanone
CID 58315539
1-(4-chloro-2-fluorophenyl)-2-(4-morpholin-2-ylphenyl)ethanone
CID 58315805
1-[2-(4-ethoxyphenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 147141774
2-[4-[[1-(3-chloropyrazin-2-yl)pyrazole-3-carbonyl]amino]phenyl]morpholine-4-carboxylic acid
CID 89262375
1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
CID 71087810

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone?
The IUPAC name of 1-[1-(3-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone (CID 160713811) is 1-[1-(3-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[1-(3-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[1-(3-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone is O=C(Cc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2nccnc2Cl)n1.
What is the InChIKey of 1-[1-(3-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone?
The InChIKey is RSEWVRUTEJRLHA-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c20-18-19(23-7-6-22-18)25-9-5-15(24-25)16(26)11-13-1-3-14(4-2-13)17-12-21-8-10-27-17/h1-7,9,17,21H,8,10-12H2/t17-/m1/s1.
What are the key properties of 1-[1-(3-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone?
1-[1-(3-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone has a molecular weight of 383.84 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone is sourced from PubChem (CID 160713811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).