6-methyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C11H19N3 — CID 136838911

IUPAC6-methyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)Cc1cc2n(n1)CC(C)CN2
InChIInChI=1S/C11H19N3/c1-8(2)4-10-5-11-12-6-9(3)7-14(11)13-10/h5,8-9,12H,4,6-7H2,1-3H3
InChIKeyJYBXSIZBVJCXHB-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.14
Rot. Bonds2

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

6-methyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136838911) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 6-methyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-methyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136838911
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name6-methyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)Cc1cc2n(n1)CC(C)CN2
InChIInChI=1S/C11H19N3/c1-8(2)4-10-5-11-12-6-9(3)7-14(11)13-10/h5,8-9,12H,4,6-7H2,1-3H3
InChIKeyJYBXSIZBVJCXHB-UHFFFAOYSA-N
XLogP2.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-methyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136838911) is 6-methyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-methyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-methyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CC(C)Cc1cc2n(n1)CC(C)CN2.
What is the InChIKey of 6-methyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is JYBXSIZBVJCXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8(2)4-10-5-11-12-6-9(3)7-14(11)13-10/h5,8-9,12H,4,6-7H2,1-3H3.
What are the key properties of 6-methyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
6-methyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 193.29 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136838911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).