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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Related Compounds

1-Cyclopropyl-N-[1-[[1-(phenylmethyl)-1H-pyrazol-4-yl]methyl]-3-azetidinyl]-1H-1,2,3-triazole-4-carboxamide
CID 132220034
N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 73442848
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]triazole-4-carboxamide
CID 58081260
1-[1-(4-methylphenyl)ethyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 6483911
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide
CID 3245050
N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
CID 57389883
N-{2-[4-(5-fluoropyridin-2-yl)-1H-pyrazol-1-yl]ethyl}-5-methyl-2-(2H-1,2,3-triazol-2-yl)benzamide
CID 57390051
US9586948, Example 28
CID 117871992
N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 118020300
N-[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 118020539
N-(1-benzylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide
CID 141484723
N-(1-phenylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide
CID 141484735

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).