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

C8H9BrF3N3 — CID 135897009

IUPAC(7S)-3-bromo-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1Br)NCC[C@H]2C(F)(F)F
InChIInChI=1S/C8H9BrF3N3/c1-4-6(9)7-13-3-2-5(8(10,11)12)15(7)14-4/h5,13H,2-3H2,1H3/t5-/m0/s1
InChIKeyJXGVTMSDWAKTMK-YFKPBYRVSA-N
MW284.08 g/mol
LogP2.87
Rot. Bonds

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

(7S)-3-bromo-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 135897009) has the molecular formula C8H9BrF3N3 and a molecular weight of 284.08 g/mol. Its IUPAC name is (7S)-3-bromo-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(7S)-3-bromo-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID135897009
Molecular FormulaC8H9BrF3N3
Molecular Weight284.08 g/mol
Exact Mass282.99
IUPAC Name(7S)-3-bromo-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1Br)NCC[C@H]2C(F)(F)F
InChIInChI=1S/C8H9BrF3N3/c1-4-6(9)7-13-3-2-5(8(10,11)12)15(7)14-4/h5,13H,2-3H2,1H3/t5-/m0/s1
InChIKeyJXGVTMSDWAKTMK-YFKPBYRVSA-N
XLogP2.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.08
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7S)-3-bromo-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 135600434
CID 135600434
CID 136621556
CID 136621556
CID 135833150
CID 135833150
CID 136328646
CID 136328646
CID 136329534
CID 136329534
CID 136841796
CID 136841796
CID 135646596
CID 135646596
CID 69998866
CID 69998866
CID 69998868
CID 69998868
CID 116535096
CID 116535096
CID 131115100
CID 131115100
CID 135636629
CID 135636629

Frequently Asked Questions

What is the IUPAC name of (7S)-3-bromo-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of (7S)-3-bromo-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 135897009) is (7S)-3-bromo-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for (7S)-3-bromo-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for (7S)-3-bromo-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Cc1nn2c(c1Br)NCC[C@H]2C(F)(F)F.
What is the InChIKey of (7S)-3-bromo-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is JXGVTMSDWAKTMK-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H9BrF3N3/c1-4-6(9)7-13-3-2-5(8(10,11)12)15(7)14-4/h5,13H,2-3H2,1H3/t5-/m0/s1.
What are the key properties of (7S)-3-bromo-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
(7S)-3-bromo-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 284.08 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-3-bromo-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135897009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).