3,6-diphenylpyrazolo[1,5-a]pyrimidin-5-amine

C18H14N4 — CID 110167685

IUPAC3,6-diphenylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESNc1nc2c(-c3ccccc3)cnn2cc1-c1ccccc1
InChIInChI=1S/C18H14N4/c19-17-16(14-9-5-2-6-10-14)12-22-18(21-17)15(11-20-22)13-7-3-1-4-8-13/h1-12H,(H2,19,21)
InChIKeyXDJQXAHFLYAOGT-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.65
Rot. Bonds2

About 3,6-diphenylpyrazolo[1,5-a]pyrimidin-5-amine

3,6-diphenylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 110167685) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3,6-diphenylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3,6-diphenylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID110167685
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name3,6-diphenylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESNc1nc2c(-c3ccccc3)cnn2cc1-c1ccccc1
InChIInChI=1S/C18H14N4/c19-17-16(14-9-5-2-6-10-14)12-22-18(21-17)15(11-20-22)13-7-3-1-4-8-13/h1-12H,(H2,19,21)
InChIKeyXDJQXAHFLYAOGT-UHFFFAOYSA-N
XLogP3.65
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-diphenylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3,6-diphenylpyrazolo[1,5-a]pyrimidin-5-amine (CID 110167685) is 3,6-diphenylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3,6-diphenylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3,6-diphenylpyrazolo[1,5-a]pyrimidin-5-amine is Nc1nc2c(-c3ccccc3)cnn2cc1-c1ccccc1.
What is the InChIKey of 3,6-diphenylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is XDJQXAHFLYAOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c19-17-16(14-9-5-2-6-10-14)12-22-18(21-17)15(11-20-22)13-7-3-1-4-8-13/h1-12H,(H2,19,21).
What are the key properties of 3,6-diphenylpyrazolo[1,5-a]pyrimidin-5-amine?
3,6-diphenylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 286.34 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 110167685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).