7-[4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carbonyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C19H22N6O3 — CID 75393960

IUPAC7-[4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carbonyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(C)c1cccc(-n2cc(O)c(C(=O)N3CCn4c(nn(C)c4=O)C3)n2)c1
InChIInChI=1S/C19H22N6O3/c1-12(2)13-5-4-6-14(9-13)25-10-15(26)17(21-25)18(27)23-7-8-24-16(11-23)20-22(3)19(24)28/h4-6,9-10,12,26H,7-8,11H2,1-3H3
InChIKeyAMIRDSQYIAPHLH-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.25
Rot. Bonds3

About 7-[4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carbonyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

7-[4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carbonyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 75393960) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 7-[4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carbonyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carbonyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID75393960
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name7-[4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carbonyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(C)c1cccc(-n2cc(O)c(C(=O)N3CCn4c(nn(C)c4=O)C3)n2)c1
InChIInChI=1S/C19H22N6O3/c1-12(2)13-5-4-6-14(9-13)25-10-15(26)17(21-25)18(27)23-7-8-24-16(11-23)20-22(3)19(24)28/h4-6,9-10,12,26H,7-8,11H2,1-3H3
InChIKeyAMIRDSQYIAPHLH-UHFFFAOYSA-N
XLogP1.25
TPSA98.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carbonyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 7-[4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carbonyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 75393960) is 7-[4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carbonyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 7-[4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carbonyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 7-[4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carbonyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CC(C)c1cccc(-n2cc(O)c(C(=O)N3CCn4c(nn(C)c4=O)C3)n2)c1.
What is the InChIKey of 7-[4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carbonyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is AMIRDSQYIAPHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-12(2)13-5-4-6-14(9-13)25-10-15(26)17(21-25)18(27)23-7-8-24-16(11-23)20-22(3)19(24)28/h4-6,9-10,12,26H,7-8,11H2,1-3H3.
What are the key properties of 7-[4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carbonyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
7-[4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carbonyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 382.42 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carbonyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 75393960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).