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

C14H17N3 — CID 136838851

IUPAC2-ethyl-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1cc2n(n1)CC(c1ccccc1)CN2
InChIInChI=1S/C14H17N3/c1-2-13-8-14-15-9-12(10-17(14)16-13)11-6-4-3-5-7-11/h3-8,12,15H,2,9-10H2,1H3
InChIKeyQLLHWLUUDGLKDN-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.65
Rot. Bonds2

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

2-ethyl-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136838851) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-ethyl-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-ethyl-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136838851
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-ethyl-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1cc2n(n1)CC(c1ccccc1)CN2
InChIInChI=1S/C14H17N3/c1-2-13-8-14-15-9-12(10-17(14)16-13)11-6-4-3-5-7-11/h3-8,12,15H,2,9-10H2,1H3
InChIKeyQLLHWLUUDGLKDN-UHFFFAOYSA-N
XLogP2.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-ethyl-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136838851) is 2-ethyl-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-ethyl-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-ethyl-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCc1cc2n(n1)CC(c1ccccc1)CN2.
What is the InChIKey of 2-ethyl-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is QLLHWLUUDGLKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-13-8-14-15-9-12(10-17(14)16-13)11-6-4-3-5-7-11/h3-8,12,15H,2,9-10H2,1H3.
What are the key properties of 2-ethyl-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2-ethyl-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 227.31 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136838851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).