5-[(3-amino-5-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one

C15H16N4O2 — CID 104734509

IUPAC5-[(3-amino-5-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1cc(N)cc(Cn2ccn3nc(C)cc3c2=O)c1
InChIInChI=1S/C15H16N4O2/c1-10-5-14-15(20)18(3-4-19(14)17-10)9-11-6-12(16)8-13(7-11)21-2/h3-8H,9,16H2,1-2H3
InChIKeyIPSQVXLGKDZYSK-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.44
Rot. Bonds3

About 5-[(3-amino-5-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one

5-[(3-amino-5-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104734509) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-[(3-amino-5-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(3-amino-5-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID104734509
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name5-[(3-amino-5-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1cc(N)cc(Cn2ccn3nc(C)cc3c2=O)c1
InChIInChI=1S/C15H16N4O2/c1-10-5-14-15(20)18(3-4-19(14)17-10)9-11-6-12(16)8-13(7-11)21-2/h3-8H,9,16H2,1-2H3
InChIKeyIPSQVXLGKDZYSK-UHFFFAOYSA-N
XLogP1.44
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-amino-5-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 103350211
5-[(2-amino-4-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104735319
5-[(4-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 113446776
3-[(3-amino-5-methoxyphenyl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 81149893
1-[(3-amino-5-methoxyphenyl)methyl]-3-propan-2-ylimidazol-2-one
CID 81149894
5-[(6-chloro-3-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734892
5-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104735002
5-(2-aminopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734809
5-[[3-(aminomethyl)-4-fluorophenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 107878865
methyl 4-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoate
CID 104734631
5-(3-azidopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104735171
3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carboxylic acid
CID 104734630

Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-5-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(3-amino-5-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one (CID 104734509) is 5-[(3-amino-5-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(3-amino-5-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(3-amino-5-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one is COc1cc(N)cc(Cn2ccn3nc(C)cc3c2=O)c1.
What is the InChIKey of 5-[(3-amino-5-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is IPSQVXLGKDZYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10-5-14-15(20)18(3-4-19(14)17-10)9-11-6-12(16)8-13(7-11)21-2/h3-8H,9,16H2,1-2H3.
What are the key properties of 5-[(3-amino-5-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
5-[(3-amino-5-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 284.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-5-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104734509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).