1-methyl-3-naphthalen-2-ylpyrazole-4-carboxylic acid

C15H12N2O2 — CID 43324436

IUPAC1-methyl-3-naphthalen-2-ylpyrazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)c(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C15H12N2O2/c1-17-9-13(15(18)19)14(16-17)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H,18,19)
InChIKeyVRMAXJUOCYQLOP-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.94
Rot. Bonds2

About 1-methyl-3-naphthalen-2-ylpyrazole-4-carboxylic acid

1-methyl-3-naphthalen-2-ylpyrazole-4-carboxylic acid (PubChem CID 43324436) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-methyl-3-naphthalen-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-naphthalen-2-ylpyrazole-4-carboxylic acid
PubChem CID43324436
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name1-methyl-3-naphthalen-2-ylpyrazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)c(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C15H12N2O2/c1-17-9-13(15(18)19)14(16-17)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H,18,19)
InChIKeyVRMAXJUOCYQLOP-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-methyl-3-naphthalen-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-3-naphthalen-2-ylpyrazole-4-carboxylic acid (CID 43324436) is 1-methyl-3-naphthalen-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-3-naphthalen-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-3-naphthalen-2-ylpyrazole-4-carboxylic acid is Cn1cc(C(=O)O)c(-c2ccc3ccccc3c2)n1.
What is the InChIKey of 1-methyl-3-naphthalen-2-ylpyrazole-4-carboxylic acid?
The InChIKey is VRMAXJUOCYQLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-17-9-13(15(18)19)14(16-17)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H,18,19).
What are the key properties of 1-methyl-3-naphthalen-2-ylpyrazole-4-carboxylic acid?
1-methyl-3-naphthalen-2-ylpyrazole-4-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-methyl-3-naphthalen-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 43324436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).