3-bromo-7-(2,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C17H22BrN3 — CID 136838517

IUPAC3-bromo-7-(2,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCCc1nn2c(c1Br)NCCC2c1cc(C)ccc1C
InChIInChI=1S/C17H22BrN3/c1-4-5-14-16(18)17-19-9-8-15(21(17)20-14)13-10-11(2)6-7-12(13)3/h6-7,10,15,19H,4-5,8-9H2,1-3H3
InChIKeyFQEBSCGFPKPJCO-UHFFFAOYSA-N
MW348.29 g/mol
LogP4.62
Rot. Bonds3

About 3-bromo-7-(2,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

3-bromo-7-(2,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136838517) has the molecular formula C17H22BrN3 and a molecular weight of 348.29 g/mol. Its IUPAC name is 3-bromo-7-(2,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-(2,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136838517
Molecular FormulaC17H22BrN3
Molecular Weight348.29 g/mol
Exact Mass347.10
IUPAC Name3-bromo-7-(2,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCCc1nn2c(c1Br)NCCC2c1cc(C)ccc1C
InChIInChI=1S/C17H22BrN3/c1-4-5-14-16(18)17-19-9-8-15(21(17)20-14)13-10-11(2)6-7-12(13)3/h6-7,10,15,19H,4-5,8-9H2,1-3H3
InChIKeyFQEBSCGFPKPJCO-UHFFFAOYSA-N
XLogP4.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-7-(2,5-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136840983
3-bromo-2-butyl-7-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841682
3-bromo-2-butyl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841681
7-(3,4-dimethylphenyl)-2-ethyl-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136837978
5-(2,5-dimethylphenyl)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136933937
methyl 7-(2,5-dimethylphenyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrimidine-3-carboxylate
CID 136709630
2-ethyl-3-methyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136837982
7-(2-methylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838497
5-(2,5-dimethylphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136710007
4-(2-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
CID 136840782
7-(4-ethylphenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838108
3-bromo-2-pentan-2-yl-7-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838743

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-(2,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-7-(2,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136838517) is 3-bromo-7-(2,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-(2,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-7-(2,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCCc1nn2c(c1Br)NCCC2c1cc(C)ccc1C.
What is the InChIKey of 3-bromo-7-(2,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is FQEBSCGFPKPJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3/c1-4-5-14-16(18)17-19-9-8-15(21(17)20-14)13-10-11(2)6-7-12(13)3/h6-7,10,15,19H,4-5,8-9H2,1-3H3.
What are the key properties of 3-bromo-7-(2,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
3-bromo-7-(2,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 348.29 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-(2,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136838517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).