5,7-dichloro-6-(4-fluorophenyl)-3-iodo-2-methylpyrazolo[1,5-a]pyrimidine

C13H7Cl2FIN3 — CID 114514733

IUPAC5,7-dichloro-6-(4-fluorophenyl)-3-iodo-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(Cl)c(-c3ccc(F)cc3)c(Cl)nc2c1I
InChIInChI=1S/C13H7Cl2FIN3/c1-6-10(17)13-18-11(14)9(12(15)20(13)19-6)7-2-4-8(16)5-3-7/h2-5H,1H3
InChIKeyUUMPLLXSSQSLNF-UHFFFAOYSA-N
MW422.03 g/mol
LogP4.76
Rot. Bonds1

About 5,7-dichloro-6-(4-fluorophenyl)-3-iodo-2-methylpyrazolo[1,5-a]pyrimidine

5,7-dichloro-6-(4-fluorophenyl)-3-iodo-2-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 114514733) has the molecular formula C13H7Cl2FIN3 and a molecular weight of 422.03 g/mol. Its IUPAC name is 5,7-dichloro-6-(4-fluorophenyl)-3-iodo-2-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-6-(4-fluorophenyl)-3-iodo-2-methylpyrazolo[1,5-a]pyrimidine
PubChem CID114514733
Molecular FormulaC13H7Cl2FIN3
Molecular Weight422.03 g/mol
Exact Mass420.90
IUPAC Name5,7-dichloro-6-(4-fluorophenyl)-3-iodo-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(Cl)c(-c3ccc(F)cc3)c(Cl)nc2c1I
InChIInChI=1S/C13H7Cl2FIN3/c1-6-10(17)13-18-11(14)9(12(15)20(13)19-6)7-2-4-8(16)5-3-7/h2-5H,1H3
InChIKeyUUMPLLXSSQSLNF-UHFFFAOYSA-N
XLogP4.76
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.03
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,7-dichloro-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 82274361
5,7-dichloro-3-(4-chlorophenyl)-2,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 82274661
5,7-dichloro-2-methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 104616021
7-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 56922577
4,6-dichloro-2-ethyl-5-(4-fluorophenyl)pyrimidine
CID 79437703
1-[(4-fluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole
CID 79784476
3-chloro-7-[chloro(difluoro)methyl]-5-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 4774269
5,7-dichloro-6-(2-chlorophenyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidine
CID 104621709
5,7-dichloro-2-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 86630680
5,7-dichloro-2-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 104616048
difluoromethane;2-(2-fluoroethoxy)-8-(4-fluorophenyl)-7-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 171807089
5,7-dichloro-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 114514531

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-6-(4-fluorophenyl)-3-iodo-2-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-6-(4-fluorophenyl)-3-iodo-2-methylpyrazolo[1,5-a]pyrimidine (CID 114514733) is 5,7-dichloro-6-(4-fluorophenyl)-3-iodo-2-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-6-(4-fluorophenyl)-3-iodo-2-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-6-(4-fluorophenyl)-3-iodo-2-methylpyrazolo[1,5-a]pyrimidine is Cc1nn2c(Cl)c(-c3ccc(F)cc3)c(Cl)nc2c1I.
What is the InChIKey of 5,7-dichloro-6-(4-fluorophenyl)-3-iodo-2-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is UUMPLLXSSQSLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FIN3/c1-6-10(17)13-18-11(14)9(12(15)20(13)19-6)7-2-4-8(16)5-3-7/h2-5H,1H3.
What are the key properties of 5,7-dichloro-6-(4-fluorophenyl)-3-iodo-2-methylpyrazolo[1,5-a]pyrimidine?
5,7-dichloro-6-(4-fluorophenyl)-3-iodo-2-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 422.03 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-6-(4-fluorophenyl)-3-iodo-2-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 114514733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).