N-benzyl-1-[(Z)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine

C20H17N5 — CID 11393275

IUPACN-benzyl-1-[(Z)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESC(=C\n1ncc2c(NCc3ccccc3)ncnc21)\c1ccccc1
InChIInChI=1S/C20H17N5/c1-3-7-16(8-4-1)11-12-25-20-18(14-24-25)19(22-15-23-20)21-13-17-9-5-2-6-10-17/h1-12,14-15H,13H2,(H,21,22,23)/b12-11-
InChIKeyKSPKIACREMHZGI-QXMHVHEDSA-N
MW327.39 g/mol
LogP4.07
Rot. Bonds5

About N-benzyl-1-[(Z)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine

N-benzyl-1-[(Z)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 11393275) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-benzyl-1-[(Z)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-1-[(Z)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID11393275
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC NameN-benzyl-1-[(Z)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESC(=C\n1ncc2c(NCc3ccccc3)ncnc21)\c1ccccc1
InChIInChI=1S/C20H17N5/c1-3-7-16(8-4-1)11-12-25-20-18(14-24-25)19(22-15-23-20)21-13-17-9-5-2-6-10-17/h1-12,14-15H,13H2,(H,21,22,23)/b12-11-
InChIKeyKSPKIACREMHZGI-QXMHVHEDSA-N
XLogP4.07
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(Z)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-1-[(Z)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 11393275) is N-benzyl-1-[(Z)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-1-[(Z)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-1-[(Z)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine is C(=C\n1ncc2c(NCc3ccccc3)ncnc21)\c1ccccc1.
What is the InChIKey of N-benzyl-1-[(Z)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is KSPKIACREMHZGI-QXMHVHEDSA-N. The full InChI is InChI=1S/C20H17N5/c1-3-7-16(8-4-1)11-12-25-20-18(14-24-25)19(22-15-23-20)21-13-17-9-5-2-6-10-17/h1-12,14-15H,13H2,(H,21,22,23)/b12-11-.
What are the key properties of N-benzyl-1-[(Z)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine?
N-benzyl-1-[(Z)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 327.39 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(Z)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11393275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).