2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C25H30N4 — CID 70781067

IUPAC2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCc1ccc(-n2cc(CN3CCN4CCCC4C3)c(-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C25H30N4/c1-19-8-10-23(11-9-19)29-17-22(25(26-29)21-6-3-5-20(2)15-21)16-27-13-14-28-12-4-7-24(28)18-27/h3,5-6,8-11,15,17,24H,4,7,12-14,16,18H2,1-2H3
InChIKeyYDWDHCHUQIVPJL-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.44
Rot. Bonds4

About 2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 70781067) has the molecular formula C25H30N4 and a molecular weight of 386.54 g/mol. Its IUPAC name is 2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID70781067
Molecular FormulaC25H30N4
Molecular Weight386.54 g/mol
Exact Mass386.25
IUPAC Name2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCc1ccc(-n2cc(CN3CCN4CCCC4C3)c(-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C25H30N4/c1-19-8-10-23(11-9-19)29-17-22(25(26-29)21-6-3-5-20(2)15-21)16-27-13-14-28-12-4-7-24(28)18-27/h3,5-6,8-11,15,17,24H,4,7,12-14,16,18H2,1-2H3
InChIKeyYDWDHCHUQIVPJL-UHFFFAOYSA-N
XLogP4.44
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 70781067) is 2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is Cc1ccc(-n2cc(CN3CCN4CCCC4C3)c(-c3cccc(C)c3)n2)cc1.
What is the InChIKey of 2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is YDWDHCHUQIVPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4/c1-19-8-10-23(11-9-19)29-17-22(25(26-29)21-6-3-5-20(2)15-21)16-27-13-14-28-12-4-7-24(28)18-27/h3,5-6,8-11,15,17,24H,4,7,12-14,16,18H2,1-2H3.
What are the key properties of 2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 386.54 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 70781067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).