N-(3-chlorophenyl)-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C17H12ClN5 — CID 5327839

IUPACN-(3-chlorophenyl)-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESClc1cccc(Nc2ncnc3n[nH]c(-c4ccccc4)c23)c1
InChIInChI=1S/C17H12ClN5/c18-12-7-4-8-13(9-12)21-16-14-15(11-5-2-1-3-6-11)22-23-17(14)20-10-19-16/h1-10H,(H2,19,20,21,22,23)
InChIKeyJBHXXYIRQFVFOU-UHFFFAOYSA-N
MW321.77 g/mol
LogP4.42
Rot. Bonds3

About N-(3-chlorophenyl)-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine

N-(3-chlorophenyl)-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 5327839) has the molecular formula C17H12ClN5 and a molecular weight of 321.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID5327839
Molecular FormulaC17H12ClN5
Molecular Weight321.77 g/mol
Exact Mass321.08
IUPAC NameN-(3-chlorophenyl)-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESClc1cccc(Nc2ncnc3n[nH]c(-c4ccccc4)c23)c1
InChIInChI=1S/C17H12ClN5/c18-12-7-4-8-13(9-12)21-16-14-15(11-5-2-1-3-6-11)22-23-17(14)20-10-19-16/h1-10H,(H2,19,20,21,22,23)
InChIKeyJBHXXYIRQFVFOU-UHFFFAOYSA-N
XLogP4.42
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 4878
Pyrazolo[1,5-b]pyridazine deriv. 36
CID 6539378
1-Tert-Butyl-3-[(3-Chlorophenyl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 59633494
4-N,6-N-bis(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 223753
1,3-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327820
Pyrazolopyrimidine deriv. 2
CID 5327821
1H-Pyrazolo[3,4-d]pyrimidine-3,4-diamine, N,N'-diphenyl-
CID 5327823
4-(Phenylamino)pyrazolo[3,4-d]pyrimidine deriv. 8
CID 5327824
3,4-Bis((3-chlorophenyl)amino)-1H-pyrazolo[3,4-d]pyrimidine
CID 5327825
4-(Phenylamino)pyrazolo[3,4-d]pyrimidine deriv. 10
CID 5327826
3-((3-Chlorophenyl)amino)-4-((3-methylphenyl)amino)-1H-pyrazolo[3,4-d]pyrimidine
CID 5327827
3-((4-Aminophenyl)amino)-4-((3-chlorophenyl)amino)-1H-pyrazolo[3,4-d]pyrimidine
CID 5327833

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 5327839) is N-(3-chlorophenyl)-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine is Clc1cccc(Nc2ncnc3n[nH]c(-c4ccccc4)c23)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is JBHXXYIRQFVFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5/c18-12-7-4-8-13(9-12)21-16-14-15(11-5-2-1-3-6-11)22-23-17(14)20-10-19-16/h1-10H,(H2,19,20,21,22,23).
What are the key properties of N-(3-chlorophenyl)-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
N-(3-chlorophenyl)-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 321.77 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 5327839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).