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

C10H13BrF3N3 — CID 136841805

IUPAC3-bromo-7-propan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)C1CCNc2c(Br)c(C(F)(F)F)nn21
InChIInChI=1S/C10H13BrF3N3/c1-5(2)6-3-4-15-9-7(11)8(10(12,13)14)16-17(6)9/h5-6,15H,3-4H2,1-2H3
InChIKeyGIPGGLUKHUQLRR-UHFFFAOYSA-N
MW312.13 g/mol
LogP3.68
Rot. Bonds1

About 3-bromo-7-propan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

3-bromo-7-propan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136841805) has the molecular formula C10H13BrF3N3 and a molecular weight of 312.13 g/mol. Its IUPAC name is 3-bromo-7-propan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-propan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136841805
Molecular FormulaC10H13BrF3N3
Molecular Weight312.13 g/mol
Exact Mass311.02
IUPAC Name3-bromo-7-propan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)C1CCNc2c(Br)c(C(F)(F)F)nn21
InChIInChI=1S/C10H13BrF3N3/c1-5(2)6-3-4-15-9-7(11)8(10(12,13)14)16-17(6)9/h5-6,15H,3-4H2,1-2H3
InChIKeyGIPGGLUKHUQLRR-UHFFFAOYSA-N
XLogP3.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Cyclopropyl-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 135645608
3-bromo-2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136328646
3-bromo-2,6-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136329534
3-Bromo-2-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136841796
4-Bromo-3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
CID 64754482
4-Bromo-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
CID 64758623
N-[[1,3-dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-yl]methyl]ethanamine
CID 65537910
3-Bromo-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 135646603
[2-(Trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanamine
CID 135833152
(7R)-3-bromo-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 135897008
(7S)-3-bromo-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 135897009
3-bromo-7-(difluoromethyl)-2-ethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136837317

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-propan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-7-propan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136841805) is 3-bromo-7-propan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-propan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-7-propan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CC(C)C1CCNc2c(Br)c(C(F)(F)F)nn21.
What is the InChIKey of 3-bromo-7-propan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is GIPGGLUKHUQLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF3N3/c1-5(2)6-3-4-15-9-7(11)8(10(12,13)14)16-17(6)9/h5-6,15H,3-4H2,1-2H3.
What are the key properties of 3-bromo-7-propan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
3-bromo-7-propan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 312.13 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-propan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136841805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).