2-(4-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C15H14BrN3O — CID 694372

IUPAC2-(4-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(-c3ccc(Br)cc3)cc2n1
InChIInChI=1S/C15H14BrN3O/c1-2-3-12-8-15(20)19-14(17-12)9-13(18-19)10-4-6-11(16)7-5-10/h4-9,18H,2-3H2,1H3
InChIKeyVXYJNUHEWFMRCT-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.40
Rot. Bonds3

About 2-(4-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-(4-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 694372) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID694372
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name2-(4-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(-c3ccc(Br)cc3)cc2n1
InChIInChI=1S/C15H14BrN3O/c1-2-3-12-8-15(20)19-14(17-12)9-13(18-19)10-4-6-11(16)7-5-10/h4-9,18H,2-3H2,1H3
InChIKeyVXYJNUHEWFMRCT-UHFFFAOYSA-N
XLogP3.40
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one 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

6-Ethyl-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-ol
CID 684434
Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2-methyl-5-phenyl-
CID 2818813
5-methyl-2-phenyl-4H,7H-pyrazolo(1,5-a)pyrimidin-7-one
CID 737203
6-Allyl-5-methyl-2-p-tolyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 793400
2-(4-Fluoro-phenyl)-5,6-dimethyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 804445
2-(4-Bromo-phenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 1081354
5-Phenyl-2-m-tolyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 2857627
2-(4-Iodo-phenyl)-5,6-dimethyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 632552
5,6-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-ol
CID 810712
5,6-Dimethyl-2-o-tolyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 810721
2-(4-Fluoro-phenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 647063
5-Propyl-2-p-tolyl-4H-pyrazolo[1,5-a]pyrimidin-7-one
CID 652947

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(4-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 694372) is 2-(4-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(4-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(4-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCCc1cc(=O)n2[nH]c(-c3ccc(Br)cc3)cc2n1.
What is the InChIKey of 2-(4-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VXYJNUHEWFMRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-2-3-12-8-15(20)19-14(17-12)9-13(18-19)10-4-6-11(16)7-5-10/h4-9,18H,2-3H2,1H3.
What are the key properties of 2-(4-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(4-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 332.20 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 694372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).