7-chloro-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride

C13H6Cl3N3O — CID 87767602

IUPAC7-chloro-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
SMILESO=C(Cl)c1cnn2c(Cl)cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C13H6Cl3N3O/c14-8-3-1-7(2-4-8)10-5-11(15)19-13(18-10)9(6-17-19)12(16)20/h1-6H
InChIKeyVEOSEPLQKVUBCJ-UHFFFAOYSA-N
MW326.57 g/mol
LogP4.08
Rot. Bonds2

About 7-chloro-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride

7-chloro-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride (PubChem CID 87767602) has the molecular formula C13H6Cl3N3O and a molecular weight of 326.57 g/mol. Its IUPAC name is 7-chloro-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride.

Molecular Properties

Compound Name7-chloro-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
PubChem CID87767602
Molecular FormulaC13H6Cl3N3O
Molecular Weight326.57 g/mol
Exact Mass324.96
IUPAC Name7-chloro-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
SMILESO=C(Cl)c1cnn2c(Cl)cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C13H6Cl3N3O/c14-8-3-1-7(2-4-8)10-5-11(15)19-13(18-10)9(6-17-19)12(16)20/h1-6H
InChIKeyVEOSEPLQKVUBCJ-UHFFFAOYSA-N
XLogP4.08
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.57
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride?
The IUPAC name of 7-chloro-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride (CID 87767602) is 7-chloro-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride.
What is the SMILES notation for 7-chloro-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride?
The canonical SMILES for 7-chloro-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride is O=C(Cl)c1cnn2c(Cl)cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 7-chloro-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride?
The InChIKey is VEOSEPLQKVUBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3N3O/c14-8-3-1-7(2-4-8)10-5-11(15)19-13(18-10)9(6-17-19)12(16)20/h1-6H.
What are the key properties of 7-chloro-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride?
7-chloro-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride has a molecular weight of 326.57 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride is sourced from PubChem (CID 87767602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).