7-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

C25H27N5O3 — CID 75450631

IUPAC7-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESCC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2CN2CCN3C(=O)NC(=O)C3C2)cc1
InChIInChI=1S/C25H27N5O3/c1-17(2)33-21-10-8-18(9-11-21)23-19(15-30(27-23)20-6-4-3-5-7-20)14-28-12-13-29-22(16-28)24(31)26-25(29)32/h3-11,15,17,22H,12-14,16H2,1-2H3,(H,26,31,32)
InChIKeyTZVYXLHXCNFYOG-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.06
Rot. Bonds6

About 7-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

7-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (PubChem CID 75450631) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 7-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name7-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
PubChem CID75450631
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name7-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESCC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2CN2CCN3C(=O)NC(=O)C3C2)cc1
InChIInChI=1S/C25H27N5O3/c1-17(2)33-21-10-8-18(9-11-21)23-19(15-30(27-23)20-6-4-3-5-7-20)14-28-12-13-29-22(16-28)24(31)26-25(29)32/h3-11,15,17,22H,12-14,16H2,1-2H3,(H,26,31,32)
InChIKeyTZVYXLHXCNFYOG-UHFFFAOYSA-N
XLogP3.06
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 7-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The IUPAC name of 7-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (CID 75450631) is 7-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.
What is the SMILES notation for 7-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The canonical SMILES for 7-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2CN2CCN3C(=O)NC(=O)C3C2)cc1.
What is the InChIKey of 7-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The InChIKey is TZVYXLHXCNFYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-17(2)33-21-10-8-18(9-11-21)23-19(15-30(27-23)20-6-4-3-5-7-20)14-28-12-13-29-22(16-28)24(31)26-25(29)32/h3-11,15,17,22H,12-14,16H2,1-2H3,(H,26,31,32).
What are the key properties of 7-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
7-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione has a molecular weight of 445.52 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is sourced from PubChem (CID 75450631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).