3-(1-benzylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C16H15N7 — CID 58269290

IUPAC3-(1-benzylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1nc(-c2cnn(Cc3ccccc3)c2)c2c(N)ncnc21
InChIInChI=1S/C16H15N7/c1-22-16-13(15(17)18-10-19-16)14(21-22)12-7-20-23(9-12)8-11-5-3-2-4-6-11/h2-7,9-10H,8H2,1H3,(H2,17,18,19)
InChIKeyADGTYNSLHGNUSD-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.86
Rot. Bonds3

About 3-(1-benzylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

3-(1-benzylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 58269290) has the molecular formula C16H15N7 and a molecular weight of 305.35 g/mol. Its IUPAC name is 3-(1-benzylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(1-benzylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID58269290
Molecular FormulaC16H15N7
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC Name3-(1-benzylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1nc(-c2cnn(Cc3ccccc3)c2)c2c(N)ncnc21
InChIInChI=1S/C16H15N7/c1-22-16-13(15(17)18-10-19-16)14(21-22)12-7-20-23(9-12)8-11-5-3-2-4-6-11/h2-7,9-10H,8H2,1H3,(H2,17,18,19)
InChIKeyADGTYNSLHGNUSD-UHFFFAOYSA-N
XLogP1.86
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(1-benzylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 58269290) is 3-(1-benzylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(1-benzylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(1-benzylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1nc(-c2cnn(Cc3ccccc3)c2)c2c(N)ncnc21.
What is the InChIKey of 3-(1-benzylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ADGTYNSLHGNUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7/c1-22-16-13(15(17)18-10-19-16)14(21-22)12-7-20-23(9-12)8-11-5-3-2-4-6-11/h2-7,9-10H,8H2,1H3,(H2,17,18,19).
What are the key properties of 3-(1-benzylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(1-benzylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 305.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 58269290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).