2-(2,2-dimethylpropyl)-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C17H23N3 — CID 136841050

IUPAC2-(2,2-dimethylpropyl)-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)Cc1cc2n(n1)CC(c1ccccc1)CN2
InChIInChI=1S/C17H23N3/c1-17(2,3)10-15-9-16-18-11-14(12-20(16)19-15)13-7-5-4-6-8-13/h4-9,14,18H,10-12H2,1-3H3
InChIKeyMZAQGEXYWZKBMV-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.68
Rot. Bonds2

About 2-(2,2-dimethylpropyl)-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

2-(2,2-dimethylpropyl)-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136841050) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136841050
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-(2,2-dimethylpropyl)-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)Cc1cc2n(n1)CC(c1ccccc1)CN2
InChIInChI=1S/C17H23N3/c1-17(2,3)10-15-9-16-18-11-14(12-20(16)19-15)13-7-5-4-6-8-13/h4-9,14,18H,10-12H2,1-3H3
InChIKeyMZAQGEXYWZKBMV-UHFFFAOYSA-N
XLogP3.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(2,2-dimethylpropyl)-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136841050) is 2-(2,2-dimethylpropyl)-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CC(C)(C)Cc1cc2n(n1)CC(c1ccccc1)CN2.
What is the InChIKey of 2-(2,2-dimethylpropyl)-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is MZAQGEXYWZKBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-17(2,3)10-15-9-16-18-11-14(12-20(16)19-15)13-7-5-4-6-8-13/h4-9,14,18H,10-12H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2-(2,2-dimethylpropyl)-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 269.39 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136841050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).