3-chloro-N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide

C18H13ClN6O — CID 7205614

IUPAC3-chloro-N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide
SMILESO=C(NNc1ncnc2c1cnn2-c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C18H13ClN6O/c19-13-6-4-5-12(9-13)18(26)24-23-16-15-10-22-25(17(15)21-11-20-16)14-7-2-1-3-8-14/h1-11H,(H,24,26)(H,20,21,23)
InChIKeyFGDPYFMDZPRTQH-UHFFFAOYSA-N
MW364.80 g/mol
LogP3.23
Rot. Bonds4

About 3-chloro-N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide

3-chloro-N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide (PubChem CID 7205614) has the molecular formula C18H13ClN6O and a molecular weight of 364.80 g/mol. Its IUPAC name is 3-chloro-N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide
PubChem CID7205614
Molecular FormulaC18H13ClN6O
Molecular Weight364.80 g/mol
Exact Mass364.08
IUPAC Name3-chloro-N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide
SMILESO=C(NNc1ncnc2c1cnn2-c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C18H13ClN6O/c19-13-6-4-5-12(9-13)18(26)24-23-16-15-10-22-25(17(15)21-11-20-16)14-7-2-1-3-8-14/h1-11H,(H,24,26)(H,20,21,23)
InChIKeyFGDPYFMDZPRTQH-UHFFFAOYSA-N
XLogP3.23
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-chloro-N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide?
The IUPAC name of 3-chloro-N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide (CID 7205614) is 3-chloro-N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide.
What is the SMILES notation for 3-chloro-N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide?
The canonical SMILES for 3-chloro-N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide is O=C(NNc1ncnc2c1cnn2-c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide?
The InChIKey is FGDPYFMDZPRTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN6O/c19-13-6-4-5-12(9-13)18(26)24-23-16-15-10-22-25(17(15)21-11-20-16)14-7-2-1-3-8-14/h1-11H,(H,24,26)(H,20,21,23).
What are the key properties of 3-chloro-N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide?
3-chloro-N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide has a molecular weight of 364.80 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzohydrazide is sourced from PubChem (CID 7205614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).