2-(2-methylcyclopropyl)-7-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C13H21N3 — CID 136838829

IUPAC2-(2-methylcyclopropyl)-7-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)C1CCNc2cc(C3CC3C)nn21
InChIInChI=1S/C13H21N3/c1-8(2)12-4-5-14-13-7-11(15-16(12)13)10-6-9(10)3/h7-10,12,14H,4-6H2,1-3H3
InChIKeyHGSDUECVLUTCSV-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.02
Rot. Bonds2

About 2-(2-methylcyclopropyl)-7-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

2-(2-methylcyclopropyl)-7-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136838829) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(2-methylcyclopropyl)-7-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(2-methylcyclopropyl)-7-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136838829
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-(2-methylcyclopropyl)-7-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)C1CCNc2cc(C3CC3C)nn21
InChIInChI=1S/C13H21N3/c1-8(2)12-4-5-14-13-7-11(15-16(12)13)10-6-9(10)3/h7-10,12,14H,4-6H2,1-3H3
InChIKeyHGSDUECVLUTCSV-UHFFFAOYSA-N
XLogP3.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylcyclopropyl)-7-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(2-methylcyclopropyl)-7-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136838829) is 2-(2-methylcyclopropyl)-7-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(2-methylcyclopropyl)-7-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(2-methylcyclopropyl)-7-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CC(C)C1CCNc2cc(C3CC3C)nn21.
What is the InChIKey of 2-(2-methylcyclopropyl)-7-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is HGSDUECVLUTCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-8(2)12-4-5-14-13-7-11(15-16(12)13)10-6-9(10)3/h7-10,12,14H,4-6H2,1-3H3.
What are the key properties of 2-(2-methylcyclopropyl)-7-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2-(2-methylcyclopropyl)-7-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 219.33 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclopropyl)-7-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136838829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).