N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-hydroxybenzohydrazide

C18H12Cl2N6O2 — CID 18851863

IUPACN'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-hydroxybenzohydrazide
SMILESO=C(NNc1ncnc2c1cnn2-c1ccc(Cl)c(Cl)c1)c1cccc(O)c1
InChIInChI=1S/C18H12Cl2N6O2/c19-14-5-4-11(7-15(14)20)26-17-13(8-23-26)16(21-9-22-17)24-25-18(28)10-2-1-3-12(27)6-10/h1-9,27H,(H,25,28)(H,21,22,24)
InChIKeyBBCZXAWGZKHNAP-UHFFFAOYSA-N
MW415.24 g/mol
LogP3.58
Rot. Bonds4

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

N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-hydroxybenzohydrazide (PubChem CID 18851863) has the molecular formula C18H12Cl2N6O2 and a molecular weight of 415.24 g/mol. Its IUPAC name is N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-hydroxybenzohydrazide
PubChem CID18851863
Molecular FormulaC18H12Cl2N6O2
Molecular Weight415.24 g/mol
Exact Mass414.04
IUPAC NameN'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-hydroxybenzohydrazide
SMILESO=C(NNc1ncnc2c1cnn2-c1ccc(Cl)c(Cl)c1)c1cccc(O)c1
InChIInChI=1S/C18H12Cl2N6O2/c19-14-5-4-11(7-15(14)20)26-17-13(8-23-26)16(21-9-22-17)24-25-18(28)10-2-1-3-12(27)6-10/h1-9,27H,(H,25,28)(H,21,22,24)
InChIKeyBBCZXAWGZKHNAP-UHFFFAOYSA-N
XLogP3.58
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.24
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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]pyridine-3-carbohydrazide
CID 8539111
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'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarbohydrazide
CID 7205652
3,4-dimethoxy-N'-[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzohydrazide
CID 17017462
N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyridine-3-carbohydrazide
CID 18851865
N'-[1-(3-chloro-4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]butanehydrazide
CID 18851852
1-[4-[[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenyl]ethanone
CID 17017551
N'-[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-methylbenzohydrazide
CID 17017587
N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 18851822
1-(3-chlorophenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17017215

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-hydroxybenzohydrazide?
The IUPAC name of N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-hydroxybenzohydrazide (CID 18851863) is N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-hydroxybenzohydrazide.
What is the SMILES notation for N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-hydroxybenzohydrazide?
The canonical SMILES for N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-hydroxybenzohydrazide is O=C(NNc1ncnc2c1cnn2-c1ccc(Cl)c(Cl)c1)c1cccc(O)c1.
What is the InChIKey of N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-hydroxybenzohydrazide?
The InChIKey is BBCZXAWGZKHNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N6O2/c19-14-5-4-11(7-15(14)20)26-17-13(8-23-26)16(21-9-22-17)24-25-18(28)10-2-1-3-12(27)6-10/h1-9,27H,(H,25,28)(H,21,22,24).
What are the key properties of N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-hydroxybenzohydrazide?
N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-hydroxybenzohydrazide has a molecular weight of 415.24 g/mol, XLogP of 3.58, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-hydroxybenzohydrazide is sourced from PubChem (CID 18851863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).