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

C13H8Cl2FN3 — CID 82274361

IUPAC5,7-dichloro-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(Cl)cc(Cl)nc2c1-c1ccc(F)cc1
InChIInChI=1S/C13H8Cl2FN3/c1-7-12(8-2-4-9(16)5-3-8)13-17-10(14)6-11(15)19(13)18-7/h2-6H,1H3
InChIKeyDSZGAPBUTZRRAM-UHFFFAOYSA-N
MW296.13 g/mol
LogP4.15
Rot. Bonds1

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

5,7-dichloro-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 82274361) has the molecular formula C13H8Cl2FN3 and a molecular weight of 296.13 g/mol. Its IUPAC name is 5,7-dichloro-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
PubChem CID82274361
Molecular FormulaC13H8Cl2FN3
Molecular Weight296.13 g/mol
Exact Mass295.01
IUPAC Name5,7-dichloro-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(Cl)cc(Cl)nc2c1-c1ccc(F)cc1
InChIInChI=1S/C13H8Cl2FN3/c1-7-12(8-2-4-9(16)5-3-8)13-17-10(14)6-11(15)19(13)18-7/h2-6H,1H3
InChIKeyDSZGAPBUTZRRAM-UHFFFAOYSA-N
XLogP4.15
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine (CID 82274361) is 5,7-dichloro-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine is Cc1nn2c(Cl)cc(Cl)nc2c1-c1ccc(F)cc1.
What is the InChIKey of 5,7-dichloro-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is DSZGAPBUTZRRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FN3/c1-7-12(8-2-4-9(16)5-3-8)13-17-10(14)6-11(15)19(13)18-7/h2-6H,1H3.
What are the key properties of 5,7-dichloro-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
5,7-dichloro-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 296.13 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82274361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).