5-chloro-3-methylpyrazolo[1,5-a]pyrimidine

C7H6ClN3 — CID 121403620

IUPAC5-chloro-3-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cnn2ccc(Cl)nc12
InChIInChI=1S/C7H6ClN3/c1-5-4-9-11-3-2-6(8)10-7(5)11/h2-4H,1H3
InChIKeyGUQLSEAQAKGQJL-UHFFFAOYSA-N
MW167.60 g/mol
LogP1.69
Rot. Bonds

About 5-chloro-3-methylpyrazolo[1,5-a]pyrimidine

5-chloro-3-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 121403620) has the molecular formula C7H6ClN3 and a molecular weight of 167.60 g/mol. Its IUPAC name is 5-chloro-3-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-3-methylpyrazolo[1,5-a]pyrimidine
PubChem CID121403620
Molecular FormulaC7H6ClN3
Molecular Weight167.60 g/mol
Exact Mass167.03
IUPAC Name5-chloro-3-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cnn2ccc(Cl)nc12
InChIInChI=1S/C7H6ClN3/c1-5-4-9-11-3-2-6(8)10-7(5)11/h2-4H,1H3
InChIKeyGUQLSEAQAKGQJL-UHFFFAOYSA-N
XLogP1.69
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.60
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-3-methylpyrazolo[1,5-a]pyrimidine (CID 121403620) is 5-chloro-3-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-3-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-3-methylpyrazolo[1,5-a]pyrimidine is Cc1cnn2ccc(Cl)nc12.
What is the InChIKey of 5-chloro-3-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is GUQLSEAQAKGQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3/c1-5-4-9-11-3-2-6(8)10-7(5)11/h2-4H,1H3.
What are the key properties of 5-chloro-3-methylpyrazolo[1,5-a]pyrimidine?
5-chloro-3-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 167.60 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 121403620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).