4-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzoic acid

C16H14N4O2 — CID 162669590

IUPAC4-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzoic acid
SMILESCn1cc(-c2cc(-c3ccc(C(=O)O)cc3)cnc2N)cn1
InChIInChI=1S/C16H14N4O2/c1-20-9-13(8-19-20)14-6-12(7-18-15(14)17)10-2-4-11(5-3-10)16(21)22/h2-9H,1H3,(H2,17,18)(H,21,22)
InChIKeyJPEDGYGPKQOCLA-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.43
Rot. Bonds3

About 4-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzoic acid

4-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzoic acid (PubChem CID 162669590) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzoic acid.

Molecular Properties

Compound Name4-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzoic acid
PubChem CID162669590
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name4-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzoic acid
SMILESCn1cc(-c2cc(-c3ccc(C(=O)O)cc3)cnc2N)cn1
InChIInChI=1S/C16H14N4O2/c1-20-9-13(8-19-20)14-6-12(7-18-15(14)17)10-2-4-11(5-3-10)16(21)22/h2-9H,1H3,(H2,17,18)(H,21,22)
InChIKeyJPEDGYGPKQOCLA-UHFFFAOYSA-N
XLogP2.43
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzoic acid?
The IUPAC name of 4-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzoic acid (CID 162669590) is 4-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzoic acid.
What is the SMILES notation for 4-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzoic acid?
The canonical SMILES for 4-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzoic acid is Cn1cc(-c2cc(-c3ccc(C(=O)O)cc3)cnc2N)cn1.
What is the InChIKey of 4-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzoic acid?
The InChIKey is JPEDGYGPKQOCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-20-9-13(8-19-20)14-6-12(7-18-15(14)17)10-2-4-11(5-3-10)16(21)22/h2-9H,1H3,(H2,17,18)(H,21,22).
What are the key properties of 4-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzoic acid?
4-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzoic acid has a molecular weight of 294.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzoic acid is sourced from PubChem (CID 162669590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).