4-chloro-3-methylpyrazolo[1,5-a]pyrazine

C7H6ClN3 — CID 138991397

IUPAC4-chloro-3-methylpyrazolo[1,5-a]pyrazine
SMILESCc1cnn2ccnc(Cl)c12
InChIInChI=1S/C7H6ClN3/c1-5-4-10-11-3-2-9-7(8)6(5)11/h2-4H,1H3
InChIKeyXGNHTGDSHWRNBR-UHFFFAOYSA-N
MW167.60 g/mol
LogP1.69
Rot. Bonds

About 4-chloro-3-methylpyrazolo[1,5-a]pyrazine

4-chloro-3-methylpyrazolo[1,5-a]pyrazine (PubChem CID 138991397) has the molecular formula C7H6ClN3 and a molecular weight of 167.60 g/mol. Its IUPAC name is 4-chloro-3-methylpyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-chloro-3-methylpyrazolo[1,5-a]pyrazine
PubChem CID138991397
Molecular FormulaC7H6ClN3
Molecular Weight167.60 g/mol
Exact Mass167.03
IUPAC Name4-chloro-3-methylpyrazolo[1,5-a]pyrazine
SMILESCc1cnn2ccnc(Cl)c12
InChIInChI=1S/C7H6ClN3/c1-5-4-10-11-3-2-9-7(8)6(5)11/h2-4H,1H3
InChIKeyXGNHTGDSHWRNBR-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-3-methylpyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-chloro-3-methylpyrazolo[1,5-a]pyrazine (CID 138991397) is 4-chloro-3-methylpyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-chloro-3-methylpyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-chloro-3-methylpyrazolo[1,5-a]pyrazine is Cc1cnn2ccnc(Cl)c12.
What is the InChIKey of 4-chloro-3-methylpyrazolo[1,5-a]pyrazine?
The InChIKey is XGNHTGDSHWRNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3/c1-5-4-10-11-3-2-9-7(8)6(5)11/h2-4H,1H3.
What are the key properties of 4-chloro-3-methylpyrazolo[1,5-a]pyrazine?
4-chloro-3-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-3-methylpyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 138991397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).