1-methyl-3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-5-carboxamide

C20H20N8O — CID 119104878

IUPAC1-methyl-3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)NC1CCN(c2nccn3cnnc23)C1
InChIInChI=1S/C20H20N8O/c1-26-17(11-16(25-26)14-5-3-2-4-6-14)20(29)23-15-7-9-27(12-15)18-19-24-22-13-28(19)10-8-21-18/h2-6,8,10-11,13,15H,7,9,12H2,1H3,(H,23,29)
InChIKeyPUVWBCRWAYWMNY-UHFFFAOYSA-N
MW388.44 g/mol
LogP1.53
Rot. Bonds4

About 1-methyl-3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-5-carboxamide

1-methyl-3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-5-carboxamide (PubChem CID 119104878) has the molecular formula C20H20N8O and a molecular weight of 388.44 g/mol. Its IUPAC name is 1-methyl-3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-5-carboxamide
PubChem CID119104878
Molecular FormulaC20H20N8O
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC Name1-methyl-3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)NC1CCN(c2nccn3cnnc23)C1
InChIInChI=1S/C20H20N8O/c1-26-17(11-16(25-26)14-5-3-2-4-6-14)20(29)23-15-7-9-27(12-15)18-19-24-22-13-28(19)10-8-21-18/h2-6,8,10-11,13,15H,7,9,12H2,1H3,(H,23,29)
InChIKeyPUVWBCRWAYWMNY-UHFFFAOYSA-N
XLogP1.53
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-5-carboxamide (CID 119104878) is 1-methyl-3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-5-carboxamide is Cn1nc(-c2ccccc2)cc1C(=O)NC1CCN(c2nccn3cnnc23)C1.
What is the InChIKey of 1-methyl-3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-5-carboxamide?
The InChIKey is PUVWBCRWAYWMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O/c1-26-17(11-16(25-26)14-5-3-2-4-6-14)20(29)23-15-7-9-27(12-15)18-19-24-22-13-28(19)10-8-21-18/h2-6,8,10-11,13,15H,7,9,12H2,1H3,(H,23,29).
What are the key properties of 1-methyl-3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-5-carboxamide?
1-methyl-3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-5-carboxamide has a molecular weight of 388.44 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 119104878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).