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

C12H8ClN3 — CID 46507305

IUPAC4-chloro-2-phenylpyrazolo[1,5-a]pyrazine
SMILESClc1nccn2nc(-c3ccccc3)cc12
InChIInChI=1S/C12H8ClN3/c13-12-11-8-10(9-4-2-1-3-5-9)15-16(11)7-6-14-12/h1-8H
InChIKeyACCBQSBWDNAFOE-UHFFFAOYSA-N
MW229.67 g/mol
LogP3.05
Rot. Bonds1

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

4-chloro-2-phenylpyrazolo[1,5-a]pyrazine (PubChem CID 46507305) has the molecular formula C12H8ClN3 and a molecular weight of 229.67 g/mol. Its IUPAC name is 4-chloro-2-phenylpyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-chloro-2-phenylpyrazolo[1,5-a]pyrazine
PubChem CID46507305
Molecular FormulaC12H8ClN3
Molecular Weight229.67 g/mol
Exact Mass229.04
IUPAC Name4-chloro-2-phenylpyrazolo[1,5-a]pyrazine
SMILESClc1nccn2nc(-c3ccccc3)cc12
InChIInChI=1S/C12H8ClN3/c13-12-11-8-10(9-4-2-1-3-5-9)15-16(11)7-6-14-12/h1-8H
InChIKeyACCBQSBWDNAFOE-UHFFFAOYSA-N
XLogP3.05
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenylpyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-chloro-2-phenylpyrazolo[1,5-a]pyrazine (CID 46507305) is 4-chloro-2-phenylpyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-chloro-2-phenylpyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-chloro-2-phenylpyrazolo[1,5-a]pyrazine is Clc1nccn2nc(-c3ccccc3)cc12.
What is the InChIKey of 4-chloro-2-phenylpyrazolo[1,5-a]pyrazine?
The InChIKey is ACCBQSBWDNAFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3/c13-12-11-8-10(9-4-2-1-3-5-9)15-16(11)7-6-14-12/h1-8H.
What are the key properties of 4-chloro-2-phenylpyrazolo[1,5-a]pyrazine?
4-chloro-2-phenylpyrazolo[1,5-a]pyrazine has a molecular weight of 229.67 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenylpyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 46507305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).