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

C19H21N5 — CID 11370613

IUPACN-cyclohexyl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESC(=C/n1ncc2c(NC3CCCCC3)ncnc21)\c1ccccc1
InChIInChI=1S/C19H21N5/c1-3-7-15(8-4-1)11-12-24-19-17(13-22-24)18(20-14-21-19)23-16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16H,2,5-6,9-10H2,(H,20,21,23)/b12-11+
InChIKeyQIWLXXNQCCUNRP-VAWYXSNFSA-N
MW319.41 g/mol
LogP4.20
Rot. Bonds4

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

N-cyclohexyl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 11370613) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-cyclohexyl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID11370613
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC NameN-cyclohexyl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESC(=C/n1ncc2c(NC3CCCCC3)ncnc21)\c1ccccc1
InChIInChI=1S/C19H21N5/c1-3-7-15(8-4-1)11-12-24-19-17(13-22-24)18(20-14-21-19)23-16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16H,2,5-6,9-10H2,(H,20,21,23)/b12-11+
InChIKeyQIWLXXNQCCUNRP-VAWYXSNFSA-N
XLogP4.20
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 11370613) is N-cyclohexyl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine is C(=C/n1ncc2c(NC3CCCCC3)ncnc21)\c1ccccc1.
What is the InChIKey of N-cyclohexyl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is QIWLXXNQCCUNRP-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H21N5/c1-3-7-15(8-4-1)11-12-24-19-17(13-22-24)18(20-14-21-19)23-16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16H,2,5-6,9-10H2,(H,20,21,23)/b12-11+.
What are the key properties of N-cyclohexyl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine?
N-cyclohexyl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 319.41 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11370613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).