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

C14H10N2O2 — CID 53415770

IUPAC1-naphthalen-2-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C14H10N2O2/c17-14(18)12-8-15-16(9-12)13-6-5-10-3-1-2-4-11(10)7-13/h1-9H,(H,17,18)
InChIKeyOITQAMLXKKUGAZ-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.72
Rot. Bonds2

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

1-naphthalen-2-ylpyrazole-4-carboxylic acid (PubChem CID 53415770) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-naphthalen-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-naphthalen-2-ylpyrazole-4-carboxylic acid
PubChem CID53415770
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name1-naphthalen-2-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C14H10N2O2/c17-14(18)12-8-15-16(9-12)13-6-5-10-3-1-2-4-11(10)7-13/h1-9H,(H,17,18)
InChIKeyOITQAMLXKKUGAZ-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-1H-pyrazole-4-carboxylic acid
CID 121026
1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid
CID 3159617
1-(3-Cyanophenyl)-1H-pyrazole-4-carboxylic acid
CID 43542927
1-[3-Cyano-4-(dimethylamino)phenyl]pyrazole-4-carboxylic acid
CID 145976346
1-(2-Fluorophenyl)-1H-pyrazole-4-carboxylic acid
CID 24710786
1-(3-(Trifluoromethyl)phenyl)-1H-pyrazole-4-carboxylic acid
CID 14994499
1-(3-fluorophenyl)-1H-pyrazole-4-carboxylic acid
CID 14994495
1-(4-Methylphenyl)-1H-pyrazole-4-carboxylic acid
CID 21105064
1-(2-Methylphenyl)-1H-pyrazole-4-carboxylic acid
CID 23344446
1-(4-tert-butylphenyl)-1H-pyrazole-4-carboxylic acid
CID 82365535
1-(4-(trifluoromethyl)phenyl)-1H-pyrazole-4-carboxylic acid
CID 23076391
3-(naphthalen-1-yl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 976649

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-naphthalen-2-ylpyrazole-4-carboxylic acid (CID 53415770) is 1-naphthalen-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-naphthalen-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-naphthalen-2-ylpyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 1-naphthalen-2-ylpyrazole-4-carboxylic acid?
The InChIKey is OITQAMLXKKUGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-14(18)12-8-15-16(9-12)13-6-5-10-3-1-2-4-11(10)7-13/h1-9H,(H,17,18).
What are the key properties of 1-naphthalen-2-ylpyrazole-4-carboxylic acid?
1-naphthalen-2-ylpyrazole-4-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 53415770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).