1-[1-(5-chloropyrimidin-2-yl)pyrazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone

C19H18ClN5O2 — CID 158287543

IUPAC1-[1-(5-chloropyrimidin-2-yl)pyrazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
SMILESO=C(Cc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ncc(Cl)cn2)c1
InChIInChI=1S/C19H18ClN5O2/c20-16-9-22-19(23-10-16)25-12-15(8-24-25)17(26)7-13-1-3-14(4-2-13)18-11-21-5-6-27-18/h1-4,8-10,12,18,21H,5-7,11H2/t18-/m1/s1
InChIKeyGKYSGXJHXPTIPQ-GOSISDBHSA-N
MW383.84 g/mol
LogP2.40
Rot. Bonds5

About 1-[1-(5-chloropyrimidin-2-yl)pyrazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone

1-[1-(5-chloropyrimidin-2-yl)pyrazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone (PubChem CID 158287543) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is 1-[1-(5-chloropyrimidin-2-yl)pyrazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[1-(5-chloropyrimidin-2-yl)pyrazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
PubChem CID158287543
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC Name1-[1-(5-chloropyrimidin-2-yl)pyrazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
SMILESO=C(Cc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ncc(Cl)cn2)c1
InChIInChI=1S/C19H18ClN5O2/c20-16-9-22-19(23-10-16)25-12-15(8-24-25)17(26)7-13-1-3-14(4-2-13)18-11-21-5-6-27-18/h1-4,8-10,12,18,21H,5-7,11H2/t18-/m1/s1
InChIKeyGKYSGXJHXPTIPQ-GOSISDBHSA-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

Analyze 1-[1-(5-chloropyrimidin-2-yl)pyrazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone with MolForge

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Related Compounds

1-(5-chloropyrimidin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide
CID 90047409
3-[4-[2-[4-[(2S)-morpholin-2-yl]phenyl]acetyl]pyrazol-1-yl]pyrazine-2-carbonitrile
CID 159609526
1-(6-chloro-3-pyridinyl)-2-[4-[(2R)-morpholin-2-yl]phenyl]ethanone
CID 58315544
2-(2-chloro-4-morpholin-2-ylphenyl)-1-[1-(4-fluorophenyl)pyrazol-4-yl]ethanone
CID 158558850
2-(4-morpholin-2-ylphenyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanone
CID 58315539
1-[1-(5-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone;hydrochloride
CID 160959790
1-(4-chloro-2-fluorophenyl)-2-(4-morpholin-2-ylphenyl)ethanone
CID 58315805
1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 58315606
2-[4-(4-chloropyrazol-1-yl)phenyl]morpholine
CID 117414129
1-[1-(3-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 160713811
1-[2-(4-fluorophenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 159692507
6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide
CID 58315714

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chloropyrimidin-2-yl)pyrazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone?
The IUPAC name of 1-[1-(5-chloropyrimidin-2-yl)pyrazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone (CID 158287543) is 1-[1-(5-chloropyrimidin-2-yl)pyrazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[1-(5-chloropyrimidin-2-yl)pyrazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[1-(5-chloropyrimidin-2-yl)pyrazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone is O=C(Cc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ncc(Cl)cn2)c1.
What is the InChIKey of 1-[1-(5-chloropyrimidin-2-yl)pyrazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone?
The InChIKey is GKYSGXJHXPTIPQ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c20-16-9-22-19(23-10-16)25-12-15(8-24-25)17(26)7-13-1-3-14(4-2-13)18-11-21-5-6-27-18/h1-4,8-10,12,18,21H,5-7,11H2/t18-/m1/s1.
What are the key properties of 1-[1-(5-chloropyrimidin-2-yl)pyrazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone?
1-[1-(5-chloropyrimidin-2-yl)pyrazol-4-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-(5-chloropyrimidin-2-yl)pyrazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone is sourced from PubChem (CID 158287543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).