2-amino-3-[(2-chloro-5-fluorophenyl)methyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C14H14ClFN4O — CID 23120880

IUPAC2-amino-3-[(2-chloro-5-fluorophenyl)methyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCN1CCn2nc(N)c(Cc3cc(F)ccc3Cl)c2C1=O
InChIInChI=1S/C14H14ClFN4O/c1-19-4-5-20-12(14(19)21)10(13(17)18-20)7-8-6-9(16)2-3-11(8)15/h2-3,6H,4-5,7H2,1H3,(H2,17,18)
InChIKeyBQYPXSKJCHKKLB-UHFFFAOYSA-N
MW308.74 g/mol
LogP1.93
Rot. Bonds2

About 2-amino-3-[(2-chloro-5-fluorophenyl)methyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

2-amino-3-[(2-chloro-5-fluorophenyl)methyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 23120880) has the molecular formula C14H14ClFN4O and a molecular weight of 308.74 g/mol. Its IUPAC name is 2-amino-3-[(2-chloro-5-fluorophenyl)methyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-amino-3-[(2-chloro-5-fluorophenyl)methyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID23120880
Molecular FormulaC14H14ClFN4O
Molecular Weight308.74 g/mol
Exact Mass308.08
IUPAC Name2-amino-3-[(2-chloro-5-fluorophenyl)methyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCN1CCn2nc(N)c(Cc3cc(F)ccc3Cl)c2C1=O
InChIInChI=1S/C14H14ClFN4O/c1-19-4-5-20-12(14(19)21)10(13(17)18-20)7-8-6-9(16)2-3-11(8)15/h2-3,6H,4-5,7H2,1H3,(H2,17,18)
InChIKeyBQYPXSKJCHKKLB-UHFFFAOYSA-N
XLogP1.93
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-chloro-5-fluorophenyl)methyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-amino-3-[(2-chloro-5-fluorophenyl)methyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 23120880) is 2-amino-3-[(2-chloro-5-fluorophenyl)methyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-amino-3-[(2-chloro-5-fluorophenyl)methyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-amino-3-[(2-chloro-5-fluorophenyl)methyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CN1CCn2nc(N)c(Cc3cc(F)ccc3Cl)c2C1=O.
What is the InChIKey of 2-amino-3-[(2-chloro-5-fluorophenyl)methyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is BQYPXSKJCHKKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN4O/c1-19-4-5-20-12(14(19)21)10(13(17)18-20)7-8-6-9(16)2-3-11(8)15/h2-3,6H,4-5,7H2,1H3,(H2,17,18).
What are the key properties of 2-amino-3-[(2-chloro-5-fluorophenyl)methyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
2-amino-3-[(2-chloro-5-fluorophenyl)methyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 308.74 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2-chloro-5-fluorophenyl)methyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 23120880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).