1-[1-(5-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone;hydrochloride

C19H19Cl2N5O2 — CID 160959790

IUPAC1-[1-(5-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone;hydrochloride
SMILESCl.O=C(Cc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2cnc(Cl)cn2)n1
InChIInChI=1S/C19H18ClN5O2.ClH/c20-18-11-23-19(12-22-18)25-7-5-15(24-25)16(26)9-13-1-3-14(4-2-13)17-10-21-6-8-27-17;/h1-5,7,11-12,17,21H,6,8-10H2;1H/t17-;/m1./s1
InChIKeyWZZNZGMIGIEXKJ-UNTBIKODSA-N
MW420.30 g/mol
LogP2.82
Rot. Bonds5

About 1-[1-(5-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone;hydrochloride

1-[1-(5-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone;hydrochloride (PubChem CID 160959790) has the molecular formula C19H19Cl2N5O2 and a molecular weight of 420.30 g/mol. Its IUPAC name is 1-[1-(5-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[1-(5-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone;hydrochloride
PubChem CID160959790
Molecular FormulaC19H19Cl2N5O2
Molecular Weight420.30 g/mol
Exact Mass419.09
IUPAC Name1-[1-(5-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone;hydrochloride
SMILESCl.O=C(Cc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2cnc(Cl)cn2)n1
InChIInChI=1S/C19H18ClN5O2.ClH/c20-18-11-23-19(12-22-18)25-7-5-15(24-25)16(26)9-13-1-3-14(4-2-13)17-10-21-6-8-27-17;/h1-5,7,11-12,17,21H,6,8-10H2;1H/t17-;/m1./s1
InChIKeyWZZNZGMIGIEXKJ-UNTBIKODSA-N
XLogP2.82
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(3-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 160713811
1-(6-chloro-3-pyridinyl)-2-[4-[(2R)-morpholin-2-yl]phenyl]ethanone
CID 58315544
1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
CID 71087671
1-(5-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
CID 71087672
1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
CID 71087810
2-(4-morpholin-2-ylphenyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanone
CID 58315539
1-[2-(4-fluorophenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 159692507
1-[1-(5-chloropyrimidin-2-yl)pyrazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 158287543
1-[2-(4-ethoxyphenyl)triazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 147141774
N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 71087444
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 71087452
1-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 175893602

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone;hydrochloride?
The IUPAC name of 1-[1-(5-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone;hydrochloride (CID 160959790) is 1-[1-(5-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone;hydrochloride.
What is the SMILES notation for 1-[1-(5-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone;hydrochloride?
The canonical SMILES for 1-[1-(5-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone;hydrochloride is Cl.O=C(Cc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2cnc(Cl)cn2)n1.
What is the InChIKey of 1-[1-(5-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone;hydrochloride?
The InChIKey is WZZNZGMIGIEXKJ-UNTBIKODSA-N. The full InChI is InChI=1S/C19H18ClN5O2.ClH/c20-18-11-23-19(12-22-18)25-7-5-15(24-25)16(26)9-13-1-3-14(4-2-13)17-10-21-6-8-27-17;/h1-5,7,11-12,17,21H,6,8-10H2;1H/t17-;/m1./s1.
What are the key properties of 1-[1-(5-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone;hydrochloride?
1-[1-(5-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone;hydrochloride has a molecular weight of 420.30 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone;hydrochloride is sourced from PubChem (CID 160959790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).