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

C18H18Cl2N6O — CID 7205652

IUPACN'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarbohydrazide
SMILESO=C(NNc1ncnc2c1cnn2-c1ccc(Cl)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C18H18Cl2N6O/c19-14-7-6-12(8-15(14)20)26-17-13(9-23-26)16(21-10-22-17)24-25-18(27)11-4-2-1-3-5-11/h6-11H,1-5H2,(H,25,27)(H,21,22,24)
InChIKeyCLQXSOGWSVALGH-UHFFFAOYSA-N
MW405.29 g/mol
LogP4.15
Rot. Bonds4

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

N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarbohydrazide (PubChem CID 7205652) has the molecular formula C18H18Cl2N6O and a molecular weight of 405.29 g/mol. Its IUPAC name is N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarbohydrazide.

Molecular Properties

Compound NameN'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarbohydrazide
PubChem CID7205652
Molecular FormulaC18H18Cl2N6O
Molecular Weight405.29 g/mol
Exact Mass404.09
IUPAC NameN'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarbohydrazide
SMILESO=C(NNc1ncnc2c1cnn2-c1ccc(Cl)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C18H18Cl2N6O/c19-14-7-6-12(8-15(14)20)26-17-13(9-23-26)16(21-10-22-17)24-25-18(27)11-4-2-1-3-5-11/h6-11H,1-5H2,(H,25,27)(H,21,22,24)
InChIKeyCLQXSOGWSVALGH-UHFFFAOYSA-N
XLogP4.15
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 54.15
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-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-hydroxybenzohydrazide
CID 18851863
N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 8539111
N'-[1-(3-chloro-4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]butanehydrazide
CID 18851852
1-(3,4-dichlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 41476206
1-[4-[[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenyl]ethanone
CID 17017551
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-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-hydroxybenzohydrazide
CID 18851857
N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide
CID 27477182
N-cyclohexyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866420
1-[1-(3-chloro-4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 17017529
N'-[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-methylbenzohydrazide
CID 17017587

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarbohydrazide?
The IUPAC name of N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarbohydrazide (CID 7205652) is N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarbohydrazide.
What is the SMILES notation for N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarbohydrazide?
The canonical SMILES for N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarbohydrazide is O=C(NNc1ncnc2c1cnn2-c1ccc(Cl)c(Cl)c1)C1CCCCC1.
What is the InChIKey of N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarbohydrazide?
The InChIKey is CLQXSOGWSVALGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N6O/c19-14-7-6-12(8-15(14)20)26-17-13(9-23-26)16(21-10-22-17)24-25-18(27)11-4-2-1-3-5-11/h6-11H,1-5H2,(H,25,27)(H,21,22,24).
What are the key properties of N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarbohydrazide?
N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarbohydrazide has a molecular weight of 405.29 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarbohydrazide is sourced from PubChem (CID 7205652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).