N-(3-chloro-4-methylphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C19H16ClN5 — CID 4531059

IUPACN-(3-chloro-4-methylphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cccc(-n2ncc3c(Nc4ccc(C)c(Cl)c4)ncnc32)c1
InChIInChI=1S/C19H16ClN5/c1-12-4-3-5-15(8-12)25-19-16(10-23-25)18(21-11-22-19)24-14-7-6-13(2)17(20)9-14/h3-11H,1-2H3,(H,21,22,24)
InChIKeyIIPZMUYNNPIFBA-UHFFFAOYSA-N
MW349.83 g/mol
LogP4.83
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

N-(3-chloro-4-methylphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 4531059) has the molecular formula C19H16ClN5 and a molecular weight of 349.83 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID4531059
Molecular FormulaC19H16ClN5
Molecular Weight349.83 g/mol
Exact Mass349.11
IUPAC NameN-(3-chloro-4-methylphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cccc(-n2ncc3c(Nc4ccc(C)c(Cl)c4)ncnc32)c1
InChIInChI=1S/C19H16ClN5/c1-12-4-3-5-15(8-12)25-19-16(10-23-25)18(21-11-22-19)24-14-7-6-13(2)17(20)9-14/h3-11H,1-2H3,(H,21,22,24)
InChIKeyIIPZMUYNNPIFBA-UHFFFAOYSA-N
XLogP4.83
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.83
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 4531059) is N-(3-chloro-4-methylphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1cccc(-n2ncc3c(Nc4ccc(C)c(Cl)c4)ncnc32)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is IIPZMUYNNPIFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5/c1-12-4-3-5-15(8-12)25-19-16(10-23-25)18(21-11-22-19)24-14-7-6-13(2)17(20)9-14/h3-11H,1-2H3,(H,21,22,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-(3-chloro-4-methylphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 349.83 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 4531059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).