1-(4-methoxyphenyl)-N-prop-2-enylpyrazolo[3,4-d]pyrimidin-4-amine

C15H15N5O — CID 661248

IUPAC1-(4-methoxyphenyl)-N-prop-2-enylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESC=CCNc1ncnc2c1cnn2-c1ccc(OC)cc1
InChIInChI=1S/C15H15N5O/c1-3-8-16-14-13-9-19-20(15(13)18-10-17-14)11-4-6-12(21-2)7-5-11/h3-7,9-10H,1,8H2,2H3,(H,16,17,18)
InChIKeyNGJWODCXMUHRGF-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.42
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-prop-2-enylpyrazolo[3,4-d]pyrimidin-4-amine

1-(4-methoxyphenyl)-N-prop-2-enylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 661248) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-prop-2-enylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-prop-2-enylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID661248
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name1-(4-methoxyphenyl)-N-prop-2-enylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESC=CCNc1ncnc2c1cnn2-c1ccc(OC)cc1
InChIInChI=1S/C15H15N5O/c1-3-8-16-14-13-9-19-20(15(13)18-10-17-14)11-4-6-12(21-2)7-5-11/h3-7,9-10H,1,8H2,2H3,(H,16,17,18)
InChIKeyNGJWODCXMUHRGF-UHFFFAOYSA-N
XLogP2.42
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-prop-2-enylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-prop-2-enylpyrazolo[3,4-d]pyrimidin-4-amine (CID 661248) is 1-(4-methoxyphenyl)-N-prop-2-enylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-prop-2-enylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-prop-2-enylpyrazolo[3,4-d]pyrimidin-4-amine is C=CCNc1ncnc2c1cnn2-c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-prop-2-enylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is NGJWODCXMUHRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-3-8-16-14-13-9-19-20(15(13)18-10-17-14)11-4-6-12(21-2)7-5-11/h3-7,9-10H,1,8H2,2H3,(H,16,17,18).
What are the key properties of 1-(4-methoxyphenyl)-N-prop-2-enylpyrazolo[3,4-d]pyrimidin-4-amine?
1-(4-methoxyphenyl)-N-prop-2-enylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 281.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-prop-2-enylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 661248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).