5-(1,3-benzodioxol-5-ylmethyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine

C19H15N5O2 — CID 118708218

IUPAC5-(1,3-benzodioxol-5-ylmethyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESNc1nc(Cc2ccc3c(c2)OCO3)nc2cn(-c3ccccc3)nc12
InChIInChI=1S/C19H15N5O2/c20-19-18-14(10-24(23-18)13-4-2-1-3-5-13)21-17(22-19)9-12-6-7-15-16(8-12)26-11-25-15/h1-8,10H,9,11H2,(H2,20,21,22)
InChIKeyGDAMMKRSQJDKCJ-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.72
Rot. Bonds3

About 5-(1,3-benzodioxol-5-ylmethyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine

5-(1,3-benzodioxol-5-ylmethyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 118708218) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-ylmethyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-ylmethyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID118708218
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name5-(1,3-benzodioxol-5-ylmethyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESNc1nc(Cc2ccc3c(c2)OCO3)nc2cn(-c3ccccc3)nc12
InChIInChI=1S/C19H15N5O2/c20-19-18-14(10-24(23-18)13-4-2-1-3-5-13)21-17(22-19)9-12-6-7-15-16(8-12)26-11-25-15/h1-8,10H,9,11H2,(H2,20,21,22)
InChIKeyGDAMMKRSQJDKCJ-UHFFFAOYSA-N
XLogP2.72
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-ylmethyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 5-(1,3-benzodioxol-5-ylmethyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine (CID 118708218) is 5-(1,3-benzodioxol-5-ylmethyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 5-(1,3-benzodioxol-5-ylmethyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 5-(1,3-benzodioxol-5-ylmethyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine is Nc1nc(Cc2ccc3c(c2)OCO3)nc2cn(-c3ccccc3)nc12.
What is the InChIKey of 5-(1,3-benzodioxol-5-ylmethyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is GDAMMKRSQJDKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c20-19-18-14(10-24(23-18)13-4-2-1-3-5-13)21-17(22-19)9-12-6-7-15-16(8-12)26-11-25-15/h1-8,10H,9,11H2,(H2,20,21,22).
What are the key properties of 5-(1,3-benzodioxol-5-ylmethyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
5-(1,3-benzodioxol-5-ylmethyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 345.36 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-ylmethyl)-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 118708218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).