N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-phenyltriazole-4-carboxamide

C21H20N8O — CID 119102746

IUPACN-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-phenyltriazole-4-carboxamide
SMILESO=C(NCCn1nc(-c2cnccn2)cc1C1CC1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C21H20N8O/c30-21(19-14-25-29(27-19)16-4-2-1-3-5-16)24-10-11-28-20(15-6-7-15)12-17(26-28)18-13-22-8-9-23-18/h1-5,8-9,12-15H,6-7,10-11H2,(H,24,30)
InChIKeyFTJSARGXJGZEFW-UHFFFAOYSA-N
MW400.45 g/mol
LogP2.23
Rot. Bonds7

About N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-phenyltriazole-4-carboxamide

N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-phenyltriazole-4-carboxamide (PubChem CID 119102746) has the molecular formula C21H20N8O and a molecular weight of 400.45 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-phenyltriazole-4-carboxamide
PubChem CID119102746
Molecular FormulaC21H20N8O
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC NameN-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-phenyltriazole-4-carboxamide
SMILESO=C(NCCn1nc(-c2cnccn2)cc1C1CC1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C21H20N8O/c30-21(19-14-25-29(27-19)16-4-2-1-3-5-16)24-10-11-28-20(15-6-7-15)12-17(26-28)18-13-22-8-9-23-18/h1-5,8-9,12-15H,6-7,10-11H2,(H,24,30)
InChIKeyFTJSARGXJGZEFW-UHFFFAOYSA-N
XLogP2.23
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-phenyltriazole-4-carboxamide (CID 119102746) is N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-phenyltriazole-4-carboxamide is O=C(NCCn1nc(-c2cnccn2)cc1C1CC1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-phenyltriazole-4-carboxamide?
The InChIKey is FTJSARGXJGZEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O/c30-21(19-14-25-29(27-19)16-4-2-1-3-5-16)24-10-11-28-20(15-6-7-15)12-17(26-28)18-13-22-8-9-23-18/h1-5,8-9,12-15H,6-7,10-11H2,(H,24,30).
What are the key properties of N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-phenyltriazole-4-carboxamide?
N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-phenyltriazole-4-carboxamide has a molecular weight of 400.45 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 119102746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).