2-[1-(4-fluorophenyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C16H10FN5O2 — CID 71236482

IUPAC2-[1-(4-fluorophenyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(-c3cnn(-c4ccc(F)cc4)c3)nc12
InChIInChI=1S/C16H10FN5O2/c17-10-1-3-11(4-2-10)22-8-9(5-20-22)13-7-19-15-14(21-13)12(6-18-15)16(23)24/h1-8H,(H,18,19)(H,23,24)
InChIKeyYEZPPOBVYWEOJJ-UHFFFAOYSA-N
MW323.29 g/mol
LogP2.65
Rot. Bonds3

About 2-[1-(4-fluorophenyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-[1-(4-fluorophenyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71236482) has the molecular formula C16H10FN5O2 and a molecular weight of 323.29 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71236482
Molecular FormulaC16H10FN5O2
Molecular Weight323.29 g/mol
Exact Mass323.08
IUPAC Name2-[1-(4-fluorophenyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(-c3cnn(-c4ccc(F)cc4)c3)nc12
InChIInChI=1S/C16H10FN5O2/c17-10-1-3-11(4-2-10)22-8-9(5-20-22)13-7-19-15-14(21-13)12(6-18-15)16(23)24/h1-8H,(H,18,19)(H,23,24)
InChIKeyYEZPPOBVYWEOJJ-UHFFFAOYSA-N
XLogP2.65
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-[1-(4-fluorophenyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71236482) is 2-[1-(4-fluorophenyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-[1-(4-fluorophenyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-[1-(4-fluorophenyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is O=C(O)c1c[nH]c2ncc(-c3cnn(-c4ccc(F)cc4)c3)nc12.
What is the InChIKey of 2-[1-(4-fluorophenyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is YEZPPOBVYWEOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN5O2/c17-10-1-3-11(4-2-10)22-8-9(5-20-22)13-7-19-15-14(21-13)12(6-18-15)16(23)24/h1-8H,(H,18,19)(H,23,24).
What are the key properties of 2-[1-(4-fluorophenyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-[1-(4-fluorophenyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 323.29 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71236482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).