3-naphthalen-2-yl-1H-pyrazole-5-carboxylic acid

C14H10N2O2 — CID 776418

IUPAC3-naphthalen-2-yl-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3ccccc3c2)n[nH]1
InChIInChI=1S/C14H10N2O2/c17-14(18)13-8-12(15-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,15,16)(H,17,18)
InChIKeyJQMUXXNJOLCBJJ-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.93
Rot. Bonds2

About 3-naphthalen-2-yl-1H-pyrazole-5-carboxylic acid

3-naphthalen-2-yl-1H-pyrazole-5-carboxylic acid (PubChem CID 776418) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-naphthalen-2-yl-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-naphthalen-2-yl-1H-pyrazole-5-carboxylic acid
PubChem CID776418
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name3-naphthalen-2-yl-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3ccccc3c2)n[nH]1
InChIInChI=1S/C14H10N2O2/c17-14(18)13-8-12(15-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,15,16)(H,17,18)
InChIKeyJQMUXXNJOLCBJJ-UHFFFAOYSA-N
XLogP2.93
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Indazole-3-carboxylic acid
CID 78250
Pyrazole-5-carboxylic acid, 3-phenyl-
CID 121025
5-phenethyl-1H-pyrazole-3-carboxylic Acid
CID 11830866
3-benzyl-1H-pyrazole-5-carboxylic acid
CID 11041813
3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 818267
3-(4-Fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 940540
5-(2,4-Dimethylphenyl)-1H-pyrazole-3-carboxylic acid
CID 4274816
3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 4598704
5-(4-tert-butylphenyl)-1H-pyrazole-3-carboxylic acid
CID 3350092
methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate
CID 2060300
Methyl 3-(naphthalen-2-yl)-1H-pyrazole-5-carboxylate
CID 2771808
4-(7,7,10,10-tetramethyl-4,5,8,9-tetrahydro-1H-naphtho[2,3-g]indazol-3-yl)benzoic acid
CID 11741727

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-naphthalen-2-yl-1H-pyrazole-5-carboxylic acid (CID 776418) is 3-naphthalen-2-yl-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-naphthalen-2-yl-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-naphthalen-2-yl-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc3ccccc3c2)n[nH]1.
What is the InChIKey of 3-naphthalen-2-yl-1H-pyrazole-5-carboxylic acid?
The InChIKey is JQMUXXNJOLCBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-14(18)13-8-12(15-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,15,16)(H,17,18).
What are the key properties of 3-naphthalen-2-yl-1H-pyrazole-5-carboxylic acid?
3-naphthalen-2-yl-1H-pyrazole-5-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 776418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).