1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride

C19H18ClN7O2 — CID 71087671

IUPAC1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
SMILESCl.N#Cc1cnc(-n2ccc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)n2)cn1
InChIInChI=1S/C19H17N7O2.ClH/c20-9-15-10-23-18(12-22-15)26-7-5-16(25-26)19(27)24-14-3-1-13(2-4-14)17-11-21-6-8-28-17;/h1-5,7,10,12,17,21H,6,8,11H2,(H,24,27);1H/t17-;/m1./s1
InChIKeyIKWMSPAPHDVSBM-UNTBIKODSA-N
MW411.85 g/mol
LogP1.87
Rot. Bonds4

About 1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride

1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride (PubChem CID 71087671) has the molecular formula C19H18ClN7O2 and a molecular weight of 411.85 g/mol. Its IUPAC name is 1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
PubChem CID71087671
Molecular FormulaC19H18ClN7O2
Molecular Weight411.85 g/mol
Exact Mass411.12
IUPAC Name1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
SMILESCl.N#Cc1cnc(-n2ccc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)n2)cn1
InChIInChI=1S/C19H17N7O2.ClH/c20-9-15-10-23-18(12-22-15)26-7-5-16(25-26)19(27)24-14-3-1-13(2-4-14)17-11-21-6-8-28-17;/h1-5,7,10,12,17,21H,6,8,11H2,(H,24,27);1H/t17-;/m1./s1
InChIKeyIKWMSPAPHDVSBM-UNTBIKODSA-N
XLogP1.87
TPSA117.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.85
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(5-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
CID 71087672
1-(5-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 90047494
1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;hydrochloride
CID 90047492
1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
CID 71087810
1-(4-cyanophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 71087915
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 71087452
N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 71087444
1-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
CID 71087883
1-(3-chloropyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
CID 89262472
N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide;hydrochloride
CID 71087819
1-[1-(5-chloropyrazin-2-yl)pyrazol-3-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone;hydrochloride
CID 160959790
2-(4-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride
CID 90047249

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride (CID 71087671) is 1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride is Cl.N#Cc1cnc(-n2ccc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)n2)cn1.
What is the InChIKey of 1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is IKWMSPAPHDVSBM-UNTBIKODSA-N. The full InChI is InChI=1S/C19H17N7O2.ClH/c20-9-15-10-23-18(12-22-15)26-7-5-16(25-26)19(27)24-14-3-1-13(2-4-14)17-11-21-6-8-28-17;/h1-5,7,10,12,17,21H,6,8,11H2,(H,24,27);1H/t17-;/m1./s1.
What are the key properties of 1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride?
1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 411.85 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 71087671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).