1-(2-methylphenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide

C20H20N8O — CID 90192097

IUPAC1-(2-methylphenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESCc1ccccc1-n1ccc(C(=O)N[C@H]2CCN(c3nccn4cnnc34)C2)n1
InChIInChI=1S/C20H20N8O/c1-14-4-2-3-5-17(14)28-10-7-16(25-28)20(29)23-15-6-9-26(12-15)18-19-24-22-13-27(19)11-8-21-18/h2-5,7-8,10-11,13,15H,6,9,12H2,1H3,(H,23,29)/t15-/m0/s1
InChIKeyYDQURWXDXKOPNV-HNNXBMFYSA-N
MW388.44 g/mol
LogP1.63
Rot. Bonds4

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

1-(2-methylphenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide (PubChem CID 90192097) has the molecular formula C20H20N8O and a molecular weight of 388.44 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide
PubChem CID90192097
Molecular FormulaC20H20N8O
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC Name1-(2-methylphenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESCc1ccccc1-n1ccc(C(=O)N[C@H]2CCN(c3nccn4cnnc34)C2)n1
InChIInChI=1S/C20H20N8O/c1-14-4-2-3-5-17(14)28-10-7-16(25-28)20(29)23-15-6-9-26(12-15)18-19-24-22-13-27(19)11-8-21-18/h2-5,7-8,10-11,13,15H,6,9,12H2,1H3,(H,23,29)/t15-/m0/s1
InChIKeyYDQURWXDXKOPNV-HNNXBMFYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-methylphenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide (CID 90192097) is 1-(2-methylphenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-methylphenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-methylphenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide is Cc1ccccc1-n1ccc(C(=O)N[C@H]2CCN(c3nccn4cnnc34)C2)n1.
What is the InChIKey of 1-(2-methylphenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is YDQURWXDXKOPNV-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20N8O/c1-14-4-2-3-5-17(14)28-10-7-16(25-28)20(29)23-15-6-9-26(12-15)18-19-24-22-13-27(19)11-8-21-18/h2-5,7-8,10-11,13,15H,6,9,12H2,1H3,(H,23,29)/t15-/m0/s1.
What are the key properties of 1-(2-methylphenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
1-(2-methylphenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 388.44 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 90192097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).