6-[1-(4-chlorophenyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine

C15H12ClN3 — CID 6538807

IUPAC6-[1-(4-chlorophenyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine
SMILESClc1ccc(C2(c3cc4nccnc4[nH]3)CC2)cc1
InChIInChI=1S/C15H12ClN3/c16-11-3-1-10(2-4-11)15(5-6-15)13-9-12-14(19-13)18-8-7-17-12/h1-4,7-9H,5-6H2,(H,18,19)
InChIKeyYWLJQPJXGXMBHN-UHFFFAOYSA-N
MW269.74 g/mol
LogP3.69
Rot. Bonds2

About 6-[1-(4-chlorophenyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine

6-[1-(4-chlorophenyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 6538807) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 6-[1-(4-chlorophenyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name6-[1-(4-chlorophenyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine
PubChem CID6538807
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name6-[1-(4-chlorophenyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine
SMILESClc1ccc(C2(c3cc4nccnc4[nH]3)CC2)cc1
InChIInChI=1S/C15H12ClN3/c16-11-3-1-10(2-4-11)15(5-6-15)13-9-12-14(19-13)18-8-7-17-12/h1-4,7-9H,5-6H2,(H,18,19)
InChIKeyYWLJQPJXGXMBHN-UHFFFAOYSA-N
XLogP3.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-chlorophenyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 6-[1-(4-chlorophenyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine (CID 6538807) is 6-[1-(4-chlorophenyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 6-[1-(4-chlorophenyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 6-[1-(4-chlorophenyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine is Clc1ccc(C2(c3cc4nccnc4[nH]3)CC2)cc1.
What is the InChIKey of 6-[1-(4-chlorophenyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is YWLJQPJXGXMBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c16-11-3-1-10(2-4-11)15(5-6-15)13-9-12-14(19-13)18-8-7-17-12/h1-4,7-9H,5-6H2,(H,18,19).
What are the key properties of 6-[1-(4-chlorophenyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine?
6-[1-(4-chlorophenyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 269.74 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-chlorophenyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 6538807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).