2,5,7-trimethyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C15H19N3 — CID 136840482

IUPAC2,5,7-trimethyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1-c1ccccc1)NC(C)CC2C
InChIInChI=1S/C15H19N3/c1-10-9-11(2)18-15(16-10)14(12(3)17-18)13-7-5-4-6-8-13/h4-8,10-11,16H,9H2,1-3H3
InChIKeyQAIMGBQTHYYESP-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.62
Rot. Bonds1

About 2,5,7-trimethyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

2,5,7-trimethyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136840482) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2,5,7-trimethyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2,5,7-trimethyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136840482
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2,5,7-trimethyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1-c1ccccc1)NC(C)CC2C
InChIInChI=1S/C15H19N3/c1-10-9-11(2)18-15(16-10)14(12(3)17-18)13-7-5-4-6-8-13/h4-8,10-11,16H,9H2,1-3H3
InChIKeyQAIMGBQTHYYESP-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5,7-trimethyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2,5,7-trimethyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136840482) is 2,5,7-trimethyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2,5,7-trimethyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2,5,7-trimethyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Cc1nn2c(c1-c1ccccc1)NC(C)CC2C.
What is the InChIKey of 2,5,7-trimethyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is QAIMGBQTHYYESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-10-9-11(2)18-15(16-10)14(12(3)17-18)13-7-5-4-6-8-13/h4-8,10-11,16H,9H2,1-3H3.
What are the key properties of 2,5,7-trimethyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2,5,7-trimethyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 241.34 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7-trimethyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136840482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).