2-(4-bromo-2-fluorophenyl)-7-(2-methylprop-1-enyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C51H39Br3F3N11O6 — CID 157122652

IUPAC2-(4-bromo-2-fluorophenyl)-7-(2-methylprop-1-enyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCC(C)=Cc1cc(C(=O)O)nc2cc(-c3ccc(Br)cc3F)nn12.CC(C)Cc1cc(C(=O)O)nc2cc(-c3ccc(Br)cc3F)nn12.Cn1cc(-c2cc(C(=O)O)nc3cc(-c4ccc(Br)cc4F)nn23)cn1
InChIInChI=1S/C17H11BrFN5O2.C17H15BrFN3O2.C17H13BrFN3O2/c1-23-8-9(7-20-23)15-5-14(17(25)26)21-16-6-13(22-24(15)16)11-3-2-10(18)4-12(11)19;2*1-9(2)5-11-7-15(17(23)24)20-16-8-14(21-22(11)16)12-4-3-10(18)6-13(12)19/h2-8H,1H3,(H,25,26);3-4,6-9H,5H2,1-2H3,(H,23,24);3-8H,1-2H3,(H,23,24)
InChIKeyAIDRALIVOPJDMF-UHFFFAOYSA-N
MW1198.65 g/mol
LogP12.01
Rot. Bonds10

About 2-(4-bromo-2-fluorophenyl)-7-(2-methylprop-1-enyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

2-(4-bromo-2-fluorophenyl)-7-(2-methylprop-1-enyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 157122652) has the molecular formula C51H39Br3F3N11O6 and a molecular weight of 1198.65 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-7-(2-methylprop-1-enyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-7-(2-methylprop-1-enyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID157122652
Molecular FormulaC51H39Br3F3N11O6
Molecular Weight1198.65 g/mol
Exact Mass1195.06
IUPAC Name2-(4-bromo-2-fluorophenyl)-7-(2-methylprop-1-enyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCC(C)=Cc1cc(C(=O)O)nc2cc(-c3ccc(Br)cc3F)nn12.CC(C)Cc1cc(C(=O)O)nc2cc(-c3ccc(Br)cc3F)nn12.Cn1cc(-c2cc(C(=O)O)nc3cc(-c4ccc(Br)cc4F)nn23)cn1
InChIInChI=1S/C17H11BrFN5O2.C17H15BrFN3O2.C17H13BrFN3O2/c1-23-8-9(7-20-23)15-5-14(17(25)26)21-16-6-13(22-24(15)16)11-3-2-10(18)4-12(11)19;2*1-9(2)5-11-7-15(17(23)24)20-16-8-14(21-22(11)16)12-4-3-10(18)6-13(12)19/h2-8H,1H3,(H,25,26);3-4,6-9H,5H2,1-2H3,(H,23,24);3-8H,1-2H3,(H,23,24)
InChIKeyAIDRALIVOPJDMF-UHFFFAOYSA-N
XLogP12.01
TPSA220.29 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001198.65
LogP ≤ 512.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 2-(4-bromo-2-fluorophenyl)-7-(2-methylprop-1-enyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid 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-(4-Bromophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600248
6-[4-(4-Bromophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600806
4-(4-Bromophenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 57328410
1-Cyclohexyl-4-[6-(3,3-difluoropyrrolidin-1-yl)pyridin-3-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridine-6-carboxylic acid
CID 126741408
1-Cyclohexyl-4-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741621
Methyl 2-(4-bromo-2-fluorophenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 134430705
2-(4-Bromo-2-fluorophenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 134430723
Ethyl 2-(4-bromo-2-fluorophenyl)-7-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 142600094
2-(4-Bromo-2-fluorophenyl)-7-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 142600191
2-(4-Bromo-2-fluorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 142600204
2-(4-Bromo-2-fluorophenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 154635405
Sulfanyl 2-(4-bromo-2-fluorophenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 154698543

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-7-(2-methylprop-1-enyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-7-(2-methylprop-1-enyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 157122652) is 2-(4-bromo-2-fluorophenyl)-7-(2-methylprop-1-enyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-7-(2-methylprop-1-enyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-7-(2-methylprop-1-enyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is CC(C)=Cc1cc(C(=O)O)nc2cc(-c3ccc(Br)cc3F)nn12.CC(C)Cc1cc(C(=O)O)nc2cc(-c3ccc(Br)cc3F)nn12.Cn1cc(-c2cc(C(=O)O)nc3cc(-c4ccc(Br)cc4F)nn23)cn1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-7-(2-methylprop-1-enyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is AIDRALIVOPJDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrFN5O2.C17H15BrFN3O2.C17H13BrFN3O2/c1-23-8-9(7-20-23)15-5-14(17(25)26)21-16-6-13(22-24(15)16)11-3-2-10(18)4-12(11)19;2*1-9(2)5-11-7-15(17(23)24)20-16-8-14(21-22(11)16)12-4-3-10(18)6-13(12)19/h2-8H,1H3,(H,25,26);3-4,6-9H,5H2,1-2H3,(H,23,24);3-8H,1-2H3,(H,23,24).
What are the key properties of 2-(4-bromo-2-fluorophenyl)-7-(2-methylprop-1-enyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
2-(4-bromo-2-fluorophenyl)-7-(2-methylprop-1-enyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 1198.65 g/mol, XLogP of 12.01, 10 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-7-(2-methylprop-1-enyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 157122652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).