7-(1-phenylpropan-2-yl)pyrazolo[1,5-a]pyrimidine

C15H15N3 — CID 123870425

IUPAC7-(1-phenylpropan-2-yl)pyrazolo[1,5-a]pyrimidine
SMILESCC(Cc1ccccc1)c1ccnc2ccnn12
InChIInChI=1S/C15H15N3/c1-12(11-13-5-3-2-4-6-13)14-7-9-16-15-8-10-17-18(14)15/h2-10,12H,11H2,1H3
InChIKeyHQANMMFBUGUPCU-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.08
Rot. Bonds3

About 7-(1-phenylpropan-2-yl)pyrazolo[1,5-a]pyrimidine

7-(1-phenylpropan-2-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 123870425) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 7-(1-phenylpropan-2-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(1-phenylpropan-2-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID123870425
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name7-(1-phenylpropan-2-yl)pyrazolo[1,5-a]pyrimidine
SMILESCC(Cc1ccccc1)c1ccnc2ccnn12
InChIInChI=1S/C15H15N3/c1-12(11-13-5-3-2-4-6-13)14-7-9-16-15-8-10-17-18(14)15/h2-10,12H,11H2,1H3
InChIKeyHQANMMFBUGUPCU-UHFFFAOYSA-N
XLogP3.08
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(1-phenylpropan-2-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(1-phenylpropan-2-yl)pyrazolo[1,5-a]pyrimidine (CID 123870425) is 7-(1-phenylpropan-2-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(1-phenylpropan-2-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(1-phenylpropan-2-yl)pyrazolo[1,5-a]pyrimidine is CC(Cc1ccccc1)c1ccnc2ccnn12.
What is the InChIKey of 7-(1-phenylpropan-2-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is HQANMMFBUGUPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-12(11-13-5-3-2-4-6-13)14-7-9-16-15-8-10-17-18(14)15/h2-10,12H,11H2,1H3.
What are the key properties of 7-(1-phenylpropan-2-yl)pyrazolo[1,5-a]pyrimidine?
7-(1-phenylpropan-2-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 237.31 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-phenylpropan-2-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 123870425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).