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

C13H8Cl2IN3 — CID 21083716

IUPAC7-chloro-2-(2-chlorophenyl)-3-iodo-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2nc(-c3ccccc3Cl)c(I)c2n1
InChIInChI=1S/C13H8Cl2IN3/c1-7-6-10(15)19-13(17-7)11(16)12(18-19)8-4-2-3-5-9(8)14/h2-6H,1H3
InChIKeyLPYXEQWWQQCVHV-UHFFFAOYSA-N
MW404.04 g/mol
LogP4.62
Rot. Bonds1

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

7-chloro-2-(2-chlorophenyl)-3-iodo-5-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 21083716) has the molecular formula C13H8Cl2IN3 and a molecular weight of 404.04 g/mol. Its IUPAC name is 7-chloro-2-(2-chlorophenyl)-3-iodo-5-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-(2-chlorophenyl)-3-iodo-5-methylpyrazolo[1,5-a]pyrimidine
PubChem CID21083716
Molecular FormulaC13H8Cl2IN3
Molecular Weight404.04 g/mol
Exact Mass402.91
IUPAC Name7-chloro-2-(2-chlorophenyl)-3-iodo-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2nc(-c3ccccc3Cl)c(I)c2n1
InChIInChI=1S/C13H8Cl2IN3/c1-7-6-10(15)19-13(17-7)11(16)12(18-19)8-4-2-3-5-9(8)14/h2-6H,1H3
InChIKeyLPYXEQWWQQCVHV-UHFFFAOYSA-N
XLogP4.62
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.04
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-chlorophenyl)-3-iodo-5-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-2-(2-chlorophenyl)-3-iodo-5-methylpyrazolo[1,5-a]pyrimidine (CID 21083716) is 7-chloro-2-(2-chlorophenyl)-3-iodo-5-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-2-(2-chlorophenyl)-3-iodo-5-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-2-(2-chlorophenyl)-3-iodo-5-methylpyrazolo[1,5-a]pyrimidine is Cc1cc(Cl)n2nc(-c3ccccc3Cl)c(I)c2n1.
What is the InChIKey of 7-chloro-2-(2-chlorophenyl)-3-iodo-5-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is LPYXEQWWQQCVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2IN3/c1-7-6-10(15)19-13(17-7)11(16)12(18-19)8-4-2-3-5-9(8)14/h2-6H,1H3.
What are the key properties of 7-chloro-2-(2-chlorophenyl)-3-iodo-5-methylpyrazolo[1,5-a]pyrimidine?
7-chloro-2-(2-chlorophenyl)-3-iodo-5-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 404.04 g/mol, XLogP of 4.62, 1 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-iodo-5-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 21083716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).