4-chloro-2-methylpyrazolo[1,5-a]pyrazine

C7H6ClN3 — CID 55264761

IUPAC4-chloro-2-methylpyrazolo[1,5-a]pyrazine
SMILESCc1cc2c(Cl)nccn2n1
InChIInChI=1S/C7H6ClN3/c1-5-4-6-7(8)9-2-3-11(6)10-5/h2-4H,1H3
InChIKeyAFZPFSXIZNPFKT-UHFFFAOYSA-N
MW167.60 g/mol
LogP1.69
Rot. Bonds

About 4-chloro-2-methylpyrazolo[1,5-a]pyrazine

4-chloro-2-methylpyrazolo[1,5-a]pyrazine (PubChem CID 55264761) has the molecular formula C7H6ClN3 and a molecular weight of 167.60 g/mol. Its IUPAC name is 4-chloro-2-methylpyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-chloro-2-methylpyrazolo[1,5-a]pyrazine
PubChem CID55264761
Molecular FormulaC7H6ClN3
Molecular Weight167.60 g/mol
Exact Mass167.03
IUPAC Name4-chloro-2-methylpyrazolo[1,5-a]pyrazine
SMILESCc1cc2c(Cl)nccn2n1
InChIInChI=1S/C7H6ClN3/c1-5-4-6-7(8)9-2-3-11(6)10-5/h2-4H,1H3
InChIKeyAFZPFSXIZNPFKT-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 4-chloro-2-methylpyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-chloro-2-methylpyrazolo[1,5-a]pyrazine (CID 55264761) is 4-chloro-2-methylpyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-chloro-2-methylpyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-chloro-2-methylpyrazolo[1,5-a]pyrazine is Cc1cc2c(Cl)nccn2n1.
What is the InChIKey of 4-chloro-2-methylpyrazolo[1,5-a]pyrazine?
The InChIKey is AFZPFSXIZNPFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3/c1-5-4-6-7(8)9-2-3-11(6)10-5/h2-4H,1H3.
What are the key properties of 4-chloro-2-methylpyrazolo[1,5-a]pyrazine?
4-chloro-2-methylpyrazolo[1,5-a]pyrazine 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 4-chloro-2-methylpyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 55264761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).