1-(1-methylpyrazol-4-yl)naphthalene-2-carboxylic acid

C15H12N2O2 — CID 68748254

IUPAC1-(1-methylpyrazol-4-yl)naphthalene-2-carboxylic acid
SMILESCn1cc(-c2c(C(=O)O)ccc3ccccc23)cn1
InChIInChI=1S/C15H12N2O2/c1-17-9-11(8-16-17)14-12-5-3-2-4-10(12)6-7-13(14)15(18)19/h2-9H,1H3,(H,18,19)
InChIKeyPUIBWPJGDANGTB-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.94
Rot. Bonds2

About 1-(1-methylpyrazol-4-yl)naphthalene-2-carboxylic acid

1-(1-methylpyrazol-4-yl)naphthalene-2-carboxylic acid (PubChem CID 68748254) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)naphthalene-2-carboxylic acid
PubChem CID68748254
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name1-(1-methylpyrazol-4-yl)naphthalene-2-carboxylic acid
SMILESCn1cc(-c2c(C(=O)O)ccc3ccccc23)cn1
InChIInChI=1S/C15H12N2O2/c1-17-9-11(8-16-17)14-12-5-3-2-4-10(12)6-7-13(14)15(18)19/h2-9H,1H3,(H,18,19)
InChIKeyPUIBWPJGDANGTB-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 1-(1-methylpyrazol-4-yl)naphthalene-2-carboxylic acid?
The IUPAC name of 1-(1-methylpyrazol-4-yl)naphthalene-2-carboxylic acid (CID 68748254) is 1-(1-methylpyrazol-4-yl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)naphthalene-2-carboxylic acid?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)naphthalene-2-carboxylic acid is Cn1cc(-c2c(C(=O)O)ccc3ccccc23)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)naphthalene-2-carboxylic acid?
The InChIKey is PUIBWPJGDANGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-17-9-11(8-16-17)14-12-5-3-2-4-10(12)6-7-13(14)15(18)19/h2-9H,1H3,(H,18,19).
What are the key properties of 1-(1-methylpyrazol-4-yl)naphthalene-2-carboxylic acid?
1-(1-methylpyrazol-4-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 1-(1-methylpyrazol-4-yl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 68748254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).