1-(6-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide

C19H17N7O2 — CID 90047328

IUPAC1-(6-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide
SMILESN#Cc1cncc(-n2cc(C(=O)Nc3ccc(C4CNCCO4)cc3)cn2)n1
InChIInChI=1S/C19H17N7O2/c20-7-16-9-22-11-18(24-16)26-12-14(8-23-26)19(27)25-15-3-1-13(2-4-15)17-10-21-5-6-28-17/h1-4,8-9,11-12,17,21H,5-6,10H2,(H,25,27)
InChIKeySGLHSQRXORIHST-UHFFFAOYSA-N
MW375.39 g/mol
LogP1.45
Rot. Bonds4

About 1-(6-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide

1-(6-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide (PubChem CID 90047328) has the molecular formula C19H17N7O2 and a molecular weight of 375.39 g/mol. Its IUPAC name is 1-(6-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(6-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide
PubChem CID90047328
Molecular FormulaC19H17N7O2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC Name1-(6-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide
SMILESN#Cc1cncc(-n2cc(C(=O)Nc3ccc(C4CNCCO4)cc3)cn2)n1
InChIInChI=1S/C19H17N7O2/c20-7-16-9-22-11-18(24-16)26-12-14(8-23-26)19(27)25-15-3-1-13(2-4-15)17-10-21-5-6-28-17/h1-4,8-9,11-12,17,21H,5-6,10H2,(H,25,27)
InChIKeySGLHSQRXORIHST-UHFFFAOYSA-N
XLogP1.45
TPSA117.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(6-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(6-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide (CID 90047328) is 1-(6-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(6-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(6-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide is N#Cc1cncc(-n2cc(C(=O)Nc3ccc(C4CNCCO4)cc3)cn2)n1.
What is the InChIKey of 1-(6-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide?
The InChIKey is SGLHSQRXORIHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O2/c20-7-16-9-22-11-18(24-16)26-12-14(8-23-26)19(27)25-15-3-1-13(2-4-15)17-10-21-5-6-28-17/h1-4,8-9,11-12,17,21H,5-6,10H2,(H,25,27).
What are the key properties of 1-(6-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide?
1-(6-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 90047328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).