6-chloro-7-fluoro-5-methylpyrazolo[1,5-a]pyrimidine

C7H5ClFN3 — CID 69008047

IUPAC6-chloro-7-fluoro-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1nc2ccnn2c(F)c1Cl
InChIInChI=1S/C7H5ClFN3/c1-4-6(8)7(9)12-5(11-4)2-3-10-12/h2-3H,1H3
InChIKeyJSKIBDRJGAMKMC-UHFFFAOYSA-N
MW185.59 g/mol
LogP1.83
Rot. Bonds

About 6-chloro-7-fluoro-5-methylpyrazolo[1,5-a]pyrimidine

6-chloro-7-fluoro-5-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 69008047) has the molecular formula C7H5ClFN3 and a molecular weight of 185.59 g/mol. Its IUPAC name is 6-chloro-7-fluoro-5-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-chloro-7-fluoro-5-methylpyrazolo[1,5-a]pyrimidine
PubChem CID69008047
Molecular FormulaC7H5ClFN3
Molecular Weight185.59 g/mol
Exact Mass185.02
IUPAC Name6-chloro-7-fluoro-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1nc2ccnn2c(F)c1Cl
InChIInChI=1S/C7H5ClFN3/c1-4-6(8)7(9)12-5(11-4)2-3-10-12/h2-3H,1H3
InChIKeyJSKIBDRJGAMKMC-UHFFFAOYSA-N
XLogP1.83
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.59
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-5-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-chloro-7-fluoro-5-methylpyrazolo[1,5-a]pyrimidine (CID 69008047) is 6-chloro-7-fluoro-5-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-chloro-7-fluoro-5-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-chloro-7-fluoro-5-methylpyrazolo[1,5-a]pyrimidine is Cc1nc2ccnn2c(F)c1Cl.
What is the InChIKey of 6-chloro-7-fluoro-5-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is JSKIBDRJGAMKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFN3/c1-4-6(8)7(9)12-5(11-4)2-3-10-12/h2-3H,1H3.
What are the key properties of 6-chloro-7-fluoro-5-methylpyrazolo[1,5-a]pyrimidine?
6-chloro-7-fluoro-5-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 185.59 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-5-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 69008047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).