3-hydroxy-7-pyrazol-1-ylnaphthalene-2-carboxylic acid

C14H10N2O3 — CID 121473603

IUPAC3-hydroxy-7-pyrazol-1-ylnaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2cc(-n3cccn3)ccc2cc1O
InChIInChI=1S/C14H10N2O3/c17-13-8-9-2-3-11(16-5-1-4-15-16)6-10(9)7-12(13)14(18)19/h1-8,17H,(H,18,19)
InChIKeySKCSAZWMZJLUBP-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.43
Rot. Bonds2

About 3-hydroxy-7-pyrazol-1-ylnaphthalene-2-carboxylic acid

3-hydroxy-7-pyrazol-1-ylnaphthalene-2-carboxylic acid (PubChem CID 121473603) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-hydroxy-7-pyrazol-1-ylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-7-pyrazol-1-ylnaphthalene-2-carboxylic acid
PubChem CID121473603
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name3-hydroxy-7-pyrazol-1-ylnaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2cc(-n3cccn3)ccc2cc1O
InChIInChI=1S/C14H10N2O3/c17-13-8-9-2-3-11(16-5-1-4-15-16)6-10(9)7-12(13)14(18)19/h1-8,17H,(H,18,19)
InChIKeySKCSAZWMZJLUBP-UHFFFAOYSA-N
XLogP2.43
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-7-pyrazol-1-ylnaphthalene-2-carboxylic acid?
The IUPAC name of 3-hydroxy-7-pyrazol-1-ylnaphthalene-2-carboxylic acid (CID 121473603) is 3-hydroxy-7-pyrazol-1-ylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-7-pyrazol-1-ylnaphthalene-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-7-pyrazol-1-ylnaphthalene-2-carboxylic acid is O=C(O)c1cc2cc(-n3cccn3)ccc2cc1O.
What is the InChIKey of 3-hydroxy-7-pyrazol-1-ylnaphthalene-2-carboxylic acid?
The InChIKey is SKCSAZWMZJLUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-13-8-9-2-3-11(16-5-1-4-15-16)6-10(9)7-12(13)14(18)19/h1-8,17H,(H,18,19).
What are the key properties of 3-hydroxy-7-pyrazol-1-ylnaphthalene-2-carboxylic acid?
3-hydroxy-7-pyrazol-1-ylnaphthalene-2-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-7-pyrazol-1-ylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 121473603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).