2-(4-methoxyphenyl)-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide

C15H16N6O2 — CID 939800

IUPAC2-(4-methoxyphenyl)-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide
SMILESCOc1ccc(CC(=O)NNc2ncnc3c2cnn3C)cc1
InChIInChI=1S/C15H16N6O2/c1-21-15-12(8-18-21)14(16-9-17-15)20-19-13(22)7-10-3-5-11(23-2)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,19,22)(H,16,17,20)
InChIKeyJBFKCRXXLOOGKK-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.06
Rot. Bonds5

About 2-(4-methoxyphenyl)-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide

2-(4-methoxyphenyl)-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide (PubChem CID 939800) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide
PubChem CID939800
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name2-(4-methoxyphenyl)-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide
SMILESCOc1ccc(CC(=O)NNc2ncnc3c2cnn3C)cc1
InChIInChI=1S/C15H16N6O2/c1-21-15-12(8-18-21)14(16-9-17-15)20-19-13(22)7-10-3-5-11(23-2)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,19,22)(H,16,17,20)
InChIKeyJBFKCRXXLOOGKK-UHFFFAOYSA-N
XLogP1.06
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide?
The IUPAC name of 2-(4-methoxyphenyl)-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide (CID 939800) is 2-(4-methoxyphenyl)-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide?
The canonical SMILES for 2-(4-methoxyphenyl)-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide is COc1ccc(CC(=O)NNc2ncnc3c2cnn3C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide?
The InChIKey is JBFKCRXXLOOGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-21-15-12(8-18-21)14(16-9-17-15)20-19-13(22)7-10-3-5-11(23-2)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,19,22)(H,16,17,20).
What are the key properties of 2-(4-methoxyphenyl)-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide?
2-(4-methoxyphenyl)-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide has a molecular weight of 312.33 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide is sourced from PubChem (CID 939800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).