N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-methylbenzohydrazide

C20H17ClN6O — CID 8539064

IUPACN'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNc1ncnc2c1cnn2-c1cc(Cl)ccc1C
InChIInChI=1S/C20H17ClN6O/c1-12-5-3-4-6-15(12)20(28)26-25-18-16-10-24-27(19(16)23-11-22-18)17-9-14(21)8-7-13(17)2/h3-11H,1-2H3,(H,26,28)(H,22,23,25)
InChIKeyABJWWSKDQWVVBX-UHFFFAOYSA-N
MW392.85 g/mol
LogP3.84
Rot. Bonds4

About N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-methylbenzohydrazide

N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-methylbenzohydrazide (PubChem CID 8539064) has the molecular formula C20H17ClN6O and a molecular weight of 392.85 g/mol. Its IUPAC name is N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-methylbenzohydrazide
PubChem CID8539064
Molecular FormulaC20H17ClN6O
Molecular Weight392.85 g/mol
Exact Mass392.12
IUPAC NameN'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNc1ncnc2c1cnn2-c1cc(Cl)ccc1C
InChIInChI=1S/C20H17ClN6O/c1-12-5-3-4-6-15(12)20(28)26-25-18-16-10-24-27(19(16)23-11-22-18)17-9-14(21)8-7-13(17)2/h3-11H,1-2H3,(H,26,28)(H,22,23,25)
InChIKeyABJWWSKDQWVVBX-UHFFFAOYSA-N
XLogP3.84
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzohydrazide
CID 16801333
N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 18851811
N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 18851822
N'-[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-methylbenzohydrazide
CID 17017587
4-tert-butyl-N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzohydrazide
CID 17017416
N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanehydrazide
CID 8539031
N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3,4-dimethoxybenzohydrazide
CID 18851836
[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 4737111
N'-[5-amino-6-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 22547281
N'-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzohydrazide
CID 17017298
N'-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methylbenzohydrazide
CID 17017695
N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19146738

Frequently Asked Questions

What is the IUPAC name of N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-methylbenzohydrazide?
The IUPAC name of N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-methylbenzohydrazide (CID 8539064) is N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-methylbenzohydrazide.
What is the SMILES notation for N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-methylbenzohydrazide?
The canonical SMILES for N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-methylbenzohydrazide is Cc1ccccc1C(=O)NNc1ncnc2c1cnn2-c1cc(Cl)ccc1C.
What is the InChIKey of N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-methylbenzohydrazide?
The InChIKey is ABJWWSKDQWVVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O/c1-12-5-3-4-6-15(12)20(28)26-25-18-16-10-24-27(19(16)23-11-22-18)17-9-14(21)8-7-13(17)2/h3-11H,1-2H3,(H,26,28)(H,22,23,25).
What are the key properties of N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-methylbenzohydrazide?
N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-methylbenzohydrazide has a molecular weight of 392.85 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-methylbenzohydrazide is sourced from PubChem (CID 8539064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).