1-(5-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride

C19H18ClN7O2 — CID 71087672

IUPAC1-(5-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
SMILESCl.N#Cc1cnc(-n2ccc(C(=O)Nc3ccc(C4CNCCO4)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
InChIKeyIKWMSPAPHDVSBM-UHFFFAOYSA-N
MW411.85 g/mol
LogP1.87
Rot. Bonds4

About 1-(5-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride

1-(5-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride (PubChem CID 71087672) 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-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(5-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
PubChem CID71087672
Molecular FormulaC19H18ClN7O2
Molecular Weight411.85 g/mol
Exact Mass411.12
IUPAC Name1-(5-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
SMILESCl.N#Cc1cnc(-n2ccc(C(=O)Nc3ccc(C4CNCCO4)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
InChIKeyIKWMSPAPHDVSBM-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-(5-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride (CID 71087672) is 1-(5-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(5-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(5-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride is Cl.N#Cc1cnc(-n2ccc(C(=O)Nc3ccc(C4CNCCO4)cc3)n2)cn1.
What is the InChIKey of 1-(5-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride?
The InChIKey is IKWMSPAPHDVSBM-UHFFFAOYSA-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.
What are the key properties of 1-(5-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride?
1-(5-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)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-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 71087672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).