2-[2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C18H19ClN6O — CID 146046205

IUPAC2-[2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCCc1nc(-c2cc3n(n2)CCN(C)C3=O)n(Cc2ccccc2Cl)n1
InChIInChI=1S/C18H19ClN6O/c1-3-16-20-17(25(22-16)11-12-6-4-5-7-13(12)19)14-10-15-18(26)23(2)8-9-24(15)21-14/h4-7,10H,3,8-9,11H2,1-2H3
InChIKeyDJJVYAKSKKMGHT-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.49
Rot. Bonds4

About 2-[2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

2-[2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 146046205) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID146046205
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC Name2-[2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCCc1nc(-c2cc3n(n2)CCN(C)C3=O)n(Cc2ccccc2Cl)n1
InChIInChI=1S/C18H19ClN6O/c1-3-16-20-17(25(22-16)11-12-6-4-5-7-13(12)19)14-10-15-18(26)23(2)8-9-24(15)21-14/h4-7,10H,3,8-9,11H2,1-2H3
InChIKeyDJJVYAKSKKMGHT-UHFFFAOYSA-N
XLogP2.49
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-benzyl-5-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-triazol-3-yl]acetamide
CID 146046708
2-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146043038
N-[(2-chlorophenyl)methyl]-2-(4-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 20886561
2-[(2-chlorophenyl)methyl]-6-(2,4,5-trimethylphenyl)pyridazin-3-one
CID 8699180
5-benzyl-2-(4-chlorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 25147602
1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-amine
CID 7017721
5-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46169272
ethyl 2-[(2-chlorophenyl)methyl]-6-methyl-3-oxopyridazine-4-carboxylate
CID 100785102
2-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 17024419
5-[(2-chlorophenyl)methyl]-N-cyclohexyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42875275
2-(2-chlorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 72698979
5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbaldehyde
CID 126717669

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 146046205) is 2-[2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CCc1nc(-c2cc3n(n2)CCN(C)C3=O)n(Cc2ccccc2Cl)n1.
What is the InChIKey of 2-[2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is DJJVYAKSKKMGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O/c1-3-16-20-17(25(22-16)11-12-6-4-5-7-13(12)19)14-10-15-18(26)23(2)8-9-24(15)21-14/h4-7,10H,3,8-9,11H2,1-2H3.
What are the key properties of 2-[2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
2-[2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 370.84 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 146046205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).