7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine

C19H12Cl3N3 — CID 21083721

IUPAC7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C19H12Cl3N3/c1-11-10-16(22)25-19(23-11)17(12-6-8-13(20)9-7-12)18(24-25)14-4-2-3-5-15(14)21/h2-10H,1H3
InChIKeyMXCJFYKNWPLJKU-UHFFFAOYSA-N
MW388.69 g/mol
LogP6.33
Rot. Bonds2

About 7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine

7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 21083721) has the molecular formula C19H12Cl3N3 and a molecular weight of 388.69 g/mol. Its IUPAC name is 7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
PubChem CID21083721
Molecular FormulaC19H12Cl3N3
Molecular Weight388.69 g/mol
Exact Mass387.01
IUPAC Name7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C19H12Cl3N3/c1-11-10-16(22)25-19(23-11)17(12-6-8-13(20)9-7-12)18(24-25)14-4-2-3-5-15(14)21/h2-10H,1H3
InChIKeyMXCJFYKNWPLJKU-UHFFFAOYSA-N
XLogP6.33
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.69
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine (CID 21083721) is 7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine is Cc1cc(Cl)n2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is MXCJFYKNWPLJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl3N3/c1-11-10-16(22)25-19(23-11)17(12-6-8-13(20)9-7-12)18(24-25)14-4-2-3-5-15(14)21/h2-10H,1H3.
What are the key properties of 7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 388.69 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 21083721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).