[6-amino-5-(4-chlorophenyl)-1-methylpyrazolo[4,5-b]pyrazin-3-yl]methyl acetate

C15H14ClN5O2 — CID 23908515

IUPAC[6-amino-5-(4-chlorophenyl)-1-methylpyrazolo[4,5-b]pyrazin-3-yl]methyl acetate
SMILESCC(=O)OCc1nn(C)c2nc(N)c(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C15H14ClN5O2/c1-8(22)23-7-11-13-15(21(2)20-11)19-14(17)12(18-13)9-3-5-10(16)6-4-9/h3-6H,7H2,1-2H3,(H2,17,19)
InChIKeySNFJOCFHOFJBBZ-UHFFFAOYSA-N
MW331.76 g/mol
LogP2.33
Rot. Bonds3

About [6-amino-5-(4-chlorophenyl)-1-methylpyrazolo[4,5-b]pyrazin-3-yl]methyl acetate

[6-amino-5-(4-chlorophenyl)-1-methylpyrazolo[4,5-b]pyrazin-3-yl]methyl acetate (PubChem CID 23908515) has the molecular formula C15H14ClN5O2 and a molecular weight of 331.76 g/mol. Its IUPAC name is [6-amino-5-(4-chlorophenyl)-1-methylpyrazolo[4,5-b]pyrazin-3-yl]methyl acetate.

Molecular Properties

Compound Name[6-amino-5-(4-chlorophenyl)-1-methylpyrazolo[4,5-b]pyrazin-3-yl]methyl acetate
PubChem CID23908515
Molecular FormulaC15H14ClN5O2
Molecular Weight331.76 g/mol
Exact Mass331.08
IUPAC Name[6-amino-5-(4-chlorophenyl)-1-methylpyrazolo[4,5-b]pyrazin-3-yl]methyl acetate
SMILESCC(=O)OCc1nn(C)c2nc(N)c(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C15H14ClN5O2/c1-8(22)23-7-11-13-15(21(2)20-11)19-14(17)12(18-13)9-3-5-10(16)6-4-9/h3-6H,7H2,1-2H3,(H2,17,19)
InChIKeySNFJOCFHOFJBBZ-UHFFFAOYSA-N
XLogP2.33
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-amino-5-(4-chlorophenyl)-1-methylpyrazolo[4,5-b]pyrazin-3-yl]methyl acetate?
The IUPAC name of [6-amino-5-(4-chlorophenyl)-1-methylpyrazolo[4,5-b]pyrazin-3-yl]methyl acetate (CID 23908515) is [6-amino-5-(4-chlorophenyl)-1-methylpyrazolo[4,5-b]pyrazin-3-yl]methyl acetate.
What is the SMILES notation for [6-amino-5-(4-chlorophenyl)-1-methylpyrazolo[4,5-b]pyrazin-3-yl]methyl acetate?
The canonical SMILES for [6-amino-5-(4-chlorophenyl)-1-methylpyrazolo[4,5-b]pyrazin-3-yl]methyl acetate is CC(=O)OCc1nn(C)c2nc(N)c(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of [6-amino-5-(4-chlorophenyl)-1-methylpyrazolo[4,5-b]pyrazin-3-yl]methyl acetate?
The InChIKey is SNFJOCFHOFJBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O2/c1-8(22)23-7-11-13-15(21(2)20-11)19-14(17)12(18-13)9-3-5-10(16)6-4-9/h3-6H,7H2,1-2H3,(H2,17,19).
What are the key properties of [6-amino-5-(4-chlorophenyl)-1-methylpyrazolo[4,5-b]pyrazin-3-yl]methyl acetate?
[6-amino-5-(4-chlorophenyl)-1-methylpyrazolo[4,5-b]pyrazin-3-yl]methyl acetate has a molecular weight of 331.76 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-amino-5-(4-chlorophenyl)-1-methylpyrazolo[4,5-b]pyrazin-3-yl]methyl acetate is sourced from PubChem (CID 23908515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).