N'-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methylbenzohydrazide

C19H15ClN6O — CID 17017695

IUPACN'-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H15ClN6O/c1-12-5-7-13(8-6-12)19(27)25-24-17-16-10-23-26(18(16)22-11-21-17)15-4-2-3-14(20)9-15/h2-11H,1H3,(H,25,27)(H,21,22,24)
InChIKeyIKLTZONCLBCIMR-UHFFFAOYSA-N
MW378.82 g/mol
LogP3.53
Rot. Bonds4

About N'-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methylbenzohydrazide

N'-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methylbenzohydrazide (PubChem CID 17017695) has the molecular formula C19H15ClN6O and a molecular weight of 378.82 g/mol. Its IUPAC name is N'-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methylbenzohydrazide
PubChem CID17017695
Molecular FormulaC19H15ClN6O
Molecular Weight378.82 g/mol
Exact Mass378.10
IUPAC NameN'-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H15ClN6O/c1-12-5-7-13(8-6-12)19(27)25-24-17-16-10-23-26(18(16)22-11-21-17)15-4-2-3-14(20)9-15/h2-11H,1H3,(H,25,27)(H,21,22,24)
InChIKeyIKLTZONCLBCIMR-UHFFFAOYSA-N
XLogP3.53
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 53.53
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

N'-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzohydrazide
CID 17017298
3,4-dimethoxy-N'-[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzohydrazide
CID 17017462
N'-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-hydroxybenzohydrazide
CID 18851857
N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-hydroxybenzohydrazide
CID 18851863
1-(3-chlorophenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17017215
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]pyridine-4-carbohydrazide
CID 18851822
N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 8539111
N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3,4-dimethoxybenzohydrazide
CID 18851836
N'-[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-methylbenzohydrazide
CID 17017587
4-[[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]benzamide
CID 108777718
N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyridine-3-carbohydrazide
CID 18851865

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methylbenzohydrazide?
The IUPAC name of N'-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methylbenzohydrazide (CID 17017695) is N'-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methylbenzohydrazide.
What is the SMILES notation for N'-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methylbenzohydrazide?
The canonical SMILES for N'-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methylbenzohydrazide is Cc1ccc(C(=O)NNc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1.
What is the InChIKey of N'-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methylbenzohydrazide?
The InChIKey is IKLTZONCLBCIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O/c1-12-5-7-13(8-6-12)19(27)25-24-17-16-10-23-26(18(16)22-11-21-17)15-4-2-3-14(20)9-15/h2-11H,1H3,(H,25,27)(H,21,22,24).
What are the key properties of N'-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methylbenzohydrazide?
N'-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methylbenzohydrazide has a molecular weight of 378.82 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methylbenzohydrazide is sourced from PubChem (CID 17017695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).