5,7-bis(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine

C19H13Cl2N3 — CID 122364244

IUPAC5,7-bis(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)n2n1
InChIInChI=1S/C19H13Cl2N3/c1-12-10-19-22-17(13-2-6-15(20)7-3-13)11-18(24(19)23-12)14-4-8-16(21)9-5-14/h2-11H,1H3
InChIKeyVDTOEHWETPLTBF-UHFFFAOYSA-N
MW354.24 g/mol
LogP5.68
Rot. Bonds2

About 5,7-bis(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine

5,7-bis(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 122364244) has the molecular formula C19H13Cl2N3 and a molecular weight of 354.24 g/mol. Its IUPAC name is 5,7-bis(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-bis(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
PubChem CID122364244
Molecular FormulaC19H13Cl2N3
Molecular Weight354.24 g/mol
Exact Mass353.05
IUPAC Name5,7-bis(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)n2n1
InChIInChI=1S/C19H13Cl2N3/c1-12-10-19-22-17(13-2-6-15(20)7-3-13)11-18(24(19)23-12)14-4-8-16(21)9-5-14/h2-11H,1H3
InChIKeyVDTOEHWETPLTBF-UHFFFAOYSA-N
XLogP5.68
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.24
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 788729
5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 4773292
7-(3-fluorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine
CID 170092780
6-chloro-2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 784545
1-[7-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]ethenol
CID 89364026
3-(4-chlorophenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 3802120
5-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 19916311
7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde
CID 164946401
5-methyl-2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine
CID 2900694
5,7-dichloro-2-methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 104616021
2,6-bis(4-chlorophenyl)-4-(4-methylphenyl)pyridine
CID 101453856
7-(4-fluorophenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 12531785

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-bis(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine (CID 122364244) is 5,7-bis(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-bis(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-bis(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine is Cc1cc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)n2n1.
What is the InChIKey of 5,7-bis(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is VDTOEHWETPLTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3/c1-12-10-19-22-17(13-2-6-15(20)7-3-13)11-18(24(19)23-12)14-4-8-16(21)9-5-14/h2-11H,1H3.
What are the key properties of 5,7-bis(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
5,7-bis(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 354.24 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 122364244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).