3-(4-bromophenyl)-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidine

C22H14BrN3 — CID 66498426

IUPAC3-(4-bromophenyl)-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESBrc1ccc(-c2cnn3c(-c4ccc5ccccc5c4)ccnc23)cc1
InChIInChI=1S/C22H14BrN3/c23-19-9-7-16(8-10-19)20-14-25-26-21(11-12-24-22(20)26)18-6-5-15-3-1-2-4-17(15)13-18/h1-14H
InChIKeyBCBJTOCYWVASDO-UHFFFAOYSA-N
MW400.28 g/mol
LogP5.98
Rot. Bonds2

About 3-(4-bromophenyl)-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidine

3-(4-bromophenyl)-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 66498426) has the molecular formula C22H14BrN3 and a molecular weight of 400.28 g/mol. Its IUPAC name is 3-(4-bromophenyl)-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-bromophenyl)-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID66498426
Molecular FormulaC22H14BrN3
Molecular Weight400.28 g/mol
Exact Mass399.04
IUPAC Name3-(4-bromophenyl)-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESBrc1ccc(-c2cnn3c(-c4ccc5ccccc5c4)ccnc23)cc1
InChIInChI=1S/C22H14BrN3/c23-19-9-7-16(8-10-19)20-14-25-26-21(11-12-24-22(20)26)18-6-5-15-3-1-2-4-17(15)13-18/h1-14H
InChIKeyBCBJTOCYWVASDO-UHFFFAOYSA-N
XLogP5.98
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.28
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromophenyl)-7-naphthalen-2-ylpyrazolo[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

7-naphthalen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 900903
3-(3-chlorophenyl)-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine
CID 3850835
2-[2-(4-bromophenyl)phenyl]naphthalene
CID 134433047
7-(4-fluoro-3-nitrophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine
CID 66498127
3-(4-chlorophenyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 56921519
3-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 56922227
3-naphthalen-2-yl-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126475589
4-methyl-N-[3-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide
CID 169372224
7-(2-methoxyphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine
CID 56737889
3-methyl-N-[3-[3-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]butanamide
CID 11525142
N'-(4-bromobenzoyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 78886697
6-bromo-3-naphthalen-2-yl-5-(2-pyridin-4-ylethynyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 58173305

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-bromophenyl)-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidine (CID 66498426) is 3-(4-bromophenyl)-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-bromophenyl)-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-bromophenyl)-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidine is Brc1ccc(-c2cnn3c(-c4ccc5ccccc5c4)ccnc23)cc1.
What is the InChIKey of 3-(4-bromophenyl)-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is BCBJTOCYWVASDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrN3/c23-19-9-7-16(8-10-19)20-14-25-26-21(11-12-24-22(20)26)18-6-5-15-3-1-2-4-17(15)13-18/h1-14H.
What are the key properties of 3-(4-bromophenyl)-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidine?
3-(4-bromophenyl)-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 400.28 g/mol, XLogP of 5.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 66498426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).