3-bromo-7-tert-butyl-2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C15H26BrN3 — CID 136838751

IUPAC3-bromo-7-tert-butyl-2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCCC(C)c1nn2c(c1Br)NCCC2C(C)(C)C
InChIInChI=1S/C15H26BrN3/c1-6-7-10(2)13-12(16)14-17-9-8-11(15(3,4)5)19(14)18-13/h10-11,17H,6-9H2,1-5H3
InChIKeyAVQWBUNZGSHNKP-UHFFFAOYSA-N
MW328.30 g/mol
LogP4.95
Rot. Bonds3

About 3-bromo-7-tert-butyl-2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

3-bromo-7-tert-butyl-2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136838751) has the molecular formula C15H26BrN3 and a molecular weight of 328.30 g/mol. Its IUPAC name is 3-bromo-7-tert-butyl-2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-tert-butyl-2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136838751
Molecular FormulaC15H26BrN3
Molecular Weight328.30 g/mol
Exact Mass327.13
IUPAC Name3-bromo-7-tert-butyl-2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCCC(C)c1nn2c(c1Br)NCCC2C(C)(C)C
InChIInChI=1S/C15H26BrN3/c1-6-7-10(2)13-12(16)14-17-9-8-11(15(3,4)5)19(14)18-13/h10-11,17H,6-9H2,1-5H3
InChIKeyAVQWBUNZGSHNKP-UHFFFAOYSA-N
XLogP4.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2,6-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136329534
1,3-dimethyl-1H,4H,5H,6H,7H-pyrazolo(3,4-b)pyridin-5-amine dihydrochloride
CID 137248458
4-bromo-3-cyclopropyl-1-(propan-2-yl)-1H-pyrazol-5-amine
CID 155819608
1,3-Dimethyl-1H,4H,5H,6H,7H-pyrazolo[3,4-B]pyridin-5-amine
CID 135833149
1,3-Dimethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine
CID 135833151
3-bromo-7-(difluoromethyl)-2-ethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136837317
3-Bromo-2-ethyl-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136837326
3-bromo-2-ethyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136837339
7-(Difluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136837364
5-Methyl-7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136837369
7-(Trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136837377
2-Ethyl-3,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136837984

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-tert-butyl-2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-7-tert-butyl-2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136838751) is 3-bromo-7-tert-butyl-2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-tert-butyl-2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-7-tert-butyl-2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCCC(C)c1nn2c(c1Br)NCCC2C(C)(C)C.
What is the InChIKey of 3-bromo-7-tert-butyl-2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is AVQWBUNZGSHNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3/c1-6-7-10(2)13-12(16)14-17-9-8-11(15(3,4)5)19(14)18-13/h10-11,17H,6-9H2,1-5H3.
What are the key properties of 3-bromo-7-tert-butyl-2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
3-bromo-7-tert-butyl-2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 328.30 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-tert-butyl-2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136838751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).