2-(1-phenylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C17H22N4 — CID 146166424

IUPAC2-(1-phenylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESc1ccc(-n2cc(N3CCN4CCCCC4C3)cn2)cc1
InChIInChI=1S/C17H22N4/c1-2-6-15(7-3-1)21-14-17(12-18-21)20-11-10-19-9-5-4-8-16(19)13-20/h1-3,6-7,12,14,16H,4-5,8-11,13H2
InChIKeyNRTOGPIVGHAGQR-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.55
Rot. Bonds2

About 2-(1-phenylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

2-(1-phenylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 146166424) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(1-phenylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(1-phenylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID146166424
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-(1-phenylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESc1ccc(-n2cc(N3CCN4CCCCC4C3)cn2)cc1
InChIInChI=1S/C17H22N4/c1-2-6-15(7-3-1)21-14-17(12-18-21)20-11-10-19-9-5-4-8-16(19)13-20/h1-3,6-7,12,14,16H,4-5,8-11,13H2
InChIKeyNRTOGPIVGHAGQR-UHFFFAOYSA-N
XLogP2.55
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-phenylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-(1-phenylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 146166424) is 2-(1-phenylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-(1-phenylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-(1-phenylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is c1ccc(-n2cc(N3CCN4CCCCC4C3)cn2)cc1.
What is the InChIKey of 2-(1-phenylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is NRTOGPIVGHAGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-6-15(7-3-1)21-14-17(12-18-21)20-11-10-19-9-5-4-8-16(19)13-20/h1-3,6-7,12,14,16H,4-5,8-11,13H2.
What are the key properties of 2-(1-phenylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
2-(1-phenylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 282.39 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpyrazol-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 146166424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).