2-(2,2-dimethylpropyl)-7-piperidin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C16H28N4 — CID 136841078

IUPAC2-(2,2-dimethylpropyl)-7-piperidin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)Cc1cc2n(n1)C(C1CCCNC1)CCN2
InChIInChI=1S/C16H28N4/c1-16(2,3)10-13-9-15-18-8-6-14(20(15)19-13)12-5-4-7-17-11-12/h9,12,14,17-18H,4-8,10-11H2,1-3H3
InChIKeyHKPMTKKQNBWVID-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.83
Rot. Bonds2

About 2-(2,2-dimethylpropyl)-7-piperidin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

2-(2,2-dimethylpropyl)-7-piperidin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136841078) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-7-piperidin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-7-piperidin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136841078
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-(2,2-dimethylpropyl)-7-piperidin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)Cc1cc2n(n1)C(C1CCCNC1)CCN2
InChIInChI=1S/C16H28N4/c1-16(2,3)10-13-9-15-18-8-6-14(20(15)19-13)12-5-4-7-17-11-12/h9,12,14,17-18H,4-8,10-11H2,1-3H3
InChIKeyHKPMTKKQNBWVID-UHFFFAOYSA-N
XLogP2.83
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-piperidin-3-yl-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838503
7-piperidin-3-yl-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136837454
7-cyclopentyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838968
4-(2-methylpropyl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene
CID 136838955
4-tert-butyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene
CID 136839393
2-(2,2-dimethylpropyl)-7-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841073
2-(2,2-dimethylpropyl)-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136847670
2-(2,2-dimethylpropyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841052
11-tert-butyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 136839396
2-ethyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838885
2,7-dicyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841127
7-piperidin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 136840288

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-7-piperidin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(2,2-dimethylpropyl)-7-piperidin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136841078) is 2-(2,2-dimethylpropyl)-7-piperidin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-7-piperidin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-7-piperidin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CC(C)(C)Cc1cc2n(n1)C(C1CCCNC1)CCN2.
What is the InChIKey of 2-(2,2-dimethylpropyl)-7-piperidin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is HKPMTKKQNBWVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-16(2,3)10-13-9-15-18-8-6-14(20(15)19-13)12-5-4-7-17-11-12/h9,12,14,17-18H,4-8,10-11H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-7-piperidin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2-(2,2-dimethylpropyl)-7-piperidin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 276.43 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-7-piperidin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136841078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).