7-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C16H21N3 — CID 136840948

IUPAC7-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)c1ccc(C2CCNc3ccnn32)cc1
InChIInChI=1S/C16H21N3/c1-16(2,3)13-6-4-12(5-7-13)14-8-10-17-15-9-11-18-19(14)15/h4-7,9,11,14,17H,8,10H2,1-3H3
InChIKeyUMEZVBOFOIVPFQ-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.59
Rot. Bonds1

About 7-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

7-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136840948) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 7-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136840948
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name7-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)c1ccc(C2CCNc3ccnn32)cc1
InChIInChI=1S/C16H21N3/c1-16(2,3)13-6-4-12(5-7-13)14-8-10-17-15-9-11-18-19(14)15/h4-7,9,11,14,17H,8,10H2,1-3H3
InChIKeyUMEZVBOFOIVPFQ-UHFFFAOYSA-N
XLogP3.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136840948) is 7-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CC(C)(C)c1ccc(C2CCNc3ccnn32)cc1.
What is the InChIKey of 7-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is UMEZVBOFOIVPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-16(2,3)13-6-4-12(5-7-13)14-8-10-17-15-9-11-18-19(14)15/h4-7,9,11,14,17H,8,10H2,1-3H3.
What are the key properties of 7-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 255.37 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136840948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).