5-(1-methylpyrazol-3-yl)naphthalene-2-carboxylic acid

C15H12N2O2 — CID 90489761

IUPAC5-(1-methylpyrazol-3-yl)naphthalene-2-carboxylic acid
SMILESCn1ccc(-c2cccc3cc(C(=O)O)ccc23)n1
InChIInChI=1S/C15H12N2O2/c1-17-8-7-14(16-17)13-4-2-3-10-9-11(15(18)19)5-6-12(10)13/h2-9H,1H3,(H,18,19)
InChIKeyZORTYRYPIYWZHT-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.94
Rot. Bonds2

About 5-(1-methylpyrazol-3-yl)naphthalene-2-carboxylic acid

5-(1-methylpyrazol-3-yl)naphthalene-2-carboxylic acid (PubChem CID 90489761) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-(1-methylpyrazol-3-yl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-methylpyrazol-3-yl)naphthalene-2-carboxylic acid
PubChem CID90489761
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name5-(1-methylpyrazol-3-yl)naphthalene-2-carboxylic acid
SMILESCn1ccc(-c2cccc3cc(C(=O)O)ccc23)n1
InChIInChI=1S/C15H12N2O2/c1-17-8-7-14(16-17)13-4-2-3-10-9-11(15(18)19)5-6-12(10)13/h2-9H,1H3,(H,18,19)
InChIKeyZORTYRYPIYWZHT-UHFFFAOYSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-3-yl)naphthalene-2-carboxylic acid?
The IUPAC name of 5-(1-methylpyrazol-3-yl)naphthalene-2-carboxylic acid (CID 90489761) is 5-(1-methylpyrazol-3-yl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 5-(1-methylpyrazol-3-yl)naphthalene-2-carboxylic acid?
The canonical SMILES for 5-(1-methylpyrazol-3-yl)naphthalene-2-carboxylic acid is Cn1ccc(-c2cccc3cc(C(=O)O)ccc23)n1.
What is the InChIKey of 5-(1-methylpyrazol-3-yl)naphthalene-2-carboxylic acid?
The InChIKey is ZORTYRYPIYWZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-17-8-7-14(16-17)13-4-2-3-10-9-11(15(18)19)5-6-12(10)13/h2-9H,1H3,(H,18,19).
What are the key properties of 5-(1-methylpyrazol-3-yl)naphthalene-2-carboxylic acid?
5-(1-methylpyrazol-3-yl)naphthalene-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-3-yl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 90489761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).