5-(4-bromophenyl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine

C19H16BrN3 — CID 12005120

IUPAC5-(4-bromophenyl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCc1cc2n(n1)C(c1ccccc1)CC(c1ccc(Br)cc1)=N2
InChIInChI=1S/C19H16BrN3/c1-13-11-19-21-17(14-7-9-16(20)10-8-14)12-18(23(19)22-13)15-5-3-2-4-6-15/h2-11,18H,12H2,1H3
InChIKeyBSKZHVIFJRTRSI-UHFFFAOYSA-N
MW366.26 g/mol
LogP5.07
Rot. Bonds2

About 5-(4-bromophenyl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine

5-(4-bromophenyl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 12005120) has the molecular formula C19H16BrN3 and a molecular weight of 366.26 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID12005120
Molecular FormulaC19H16BrN3
Molecular Weight366.26 g/mol
Exact Mass365.05
IUPAC Name5-(4-bromophenyl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCc1cc2n(n1)C(c1ccccc1)CC(c1ccc(Br)cc1)=N2
InChIInChI=1S/C19H16BrN3/c1-13-11-19-21-17(14-7-9-16(20)10-8-14)12-18(23(19)22-13)15-5-3-2-4-6-15/h2-11,18H,12H2,1H3
InChIKeyBSKZHVIFJRTRSI-UHFFFAOYSA-N
XLogP5.07
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.26
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(4-bromophenyl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[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

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-bromophenyl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine (CID 12005120) is 5-(4-bromophenyl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-bromophenyl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-bromophenyl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine is Cc1cc2n(n1)C(c1ccccc1)CC(c1ccc(Br)cc1)=N2.
What is the InChIKey of 5-(4-bromophenyl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is BSKZHVIFJRTRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3/c1-13-11-19-21-17(14-7-9-16(20)10-8-14)12-18(23(19)22-13)15-5-3-2-4-6-15/h2-11,18H,12H2,1H3.
What are the key properties of 5-(4-bromophenyl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
5-(4-bromophenyl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 366.26 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 12005120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).