2-[4-(2-methylpyrazol-3-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine

C16H13N5 — CID 141340793

IUPAC2-[4-(2-methylpyrazol-3-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
SMILESCn1nccc1-c1ccc(-c2cnc3[nH]ccc3n2)cc1
InChIInChI=1S/C16H13N5/c1-21-15(7-9-19-21)12-4-2-11(3-5-12)14-10-18-16-13(20-14)6-8-17-16/h2-10H,1H3,(H,17,18)
InChIKeyLGVMGKUNEXRRCN-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.03
Rot. Bonds2

About 2-[4-(2-methylpyrazol-3-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine

2-[4-(2-methylpyrazol-3-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 141340793) has the molecular formula C16H13N5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[4-(2-methylpyrazol-3-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-[4-(2-methylpyrazol-3-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
PubChem CID141340793
Molecular FormulaC16H13N5
Molecular Weight275.31 g/mol
Exact Mass275.12
IUPAC Name2-[4-(2-methylpyrazol-3-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
SMILESCn1nccc1-c1ccc(-c2cnc3[nH]ccc3n2)cc1
InChIInChI=1S/C16H13N5/c1-21-15(7-9-19-21)12-4-2-11(3-5-12)14-10-18-16-13(20-14)6-8-17-16/h2-10H,1H3,(H,17,18)
InChIKeyLGVMGKUNEXRRCN-UHFFFAOYSA-N
XLogP3.03
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpyrazol-3-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-[4-(2-methylpyrazol-3-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine (CID 141340793) is 2-[4-(2-methylpyrazol-3-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-[4-(2-methylpyrazol-3-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-[4-(2-methylpyrazol-3-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine is Cn1nccc1-c1ccc(-c2cnc3[nH]ccc3n2)cc1.
What is the InChIKey of 2-[4-(2-methylpyrazol-3-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is LGVMGKUNEXRRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c1-21-15(7-9-19-21)12-4-2-11(3-5-12)14-10-18-16-13(20-14)6-8-17-16/h2-10H,1H3,(H,17,18).
What are the key properties of 2-[4-(2-methylpyrazol-3-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine?
2-[4-(2-methylpyrazol-3-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 275.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpyrazol-3-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 141340793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).