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

C19H18N8O — CID 121355922

IUPAC1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C19H18N8O/c28-19(16-7-10-27(24-16)15-4-2-1-3-5-15)22-14-6-9-25(12-14)17-18-23-21-13-26(18)11-8-20-17/h1-5,7-8,10-11,13-14H,6,9,12H2,(H,22,28)/t14-/m0/s1
InChIKeyMTGOYTBKDVOWLA-AWEZNQCLSA-N
MW374.41 g/mol
LogP1.32
Rot. Bonds4

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

1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide (PubChem CID 121355922) has the molecular formula C19H18N8O and a molecular weight of 374.41 g/mol. Its IUPAC name is 1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide
PubChem CID121355922
Molecular FormulaC19H18N8O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C19H18N8O/c28-19(16-7-10-27(24-16)15-4-2-1-3-5-15)22-14-6-9-25(12-14)17-18-23-21-13-26(18)11-8-20-17/h1-5,7-8,10-11,13-14H,6,9,12H2,(H,22,28)/t14-/m0/s1
InChIKeyMTGOYTBKDVOWLA-AWEZNQCLSA-N
XLogP1.32
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide (CID 121355922) is 1-phenyl-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-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide is O=C(N[C@H]1CCN(c2nccn3cnnc23)C1)c1ccn(-c2ccccc2)n1.
What is the InChIKey of 1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is MTGOYTBKDVOWLA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18N8O/c28-19(16-7-10-27(24-16)15-4-2-1-3-5-15)22-14-6-9-25(12-14)17-18-23-21-13-26(18)11-8-20-17/h1-5,7-8,10-11,13-14H,6,9,12H2,(H,22,28)/t14-/m0/s1.
What are the key properties of 1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide?
1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 374.41 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 121355922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).