3-naphthalen-2-yl-1-pyridin-2-ylpyrazole-5-carboxylic acid

C19H13N3O2 — CID 15956863

IUPAC3-naphthalen-2-yl-1-pyridin-2-ylpyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3ccccc3c2)nn1-c1ccccn1
InChIInChI=1S/C19H13N3O2/c23-19(24)17-12-16(21-22(17)18-7-3-4-10-20-18)15-9-8-13-5-1-2-6-14(13)11-15/h1-12H,(H,23,24)
InChIKeyDDPUPYXPNBRBFX-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.79
Rot. Bonds3

About 3-naphthalen-2-yl-1-pyridin-2-ylpyrazole-5-carboxylic acid

3-naphthalen-2-yl-1-pyridin-2-ylpyrazole-5-carboxylic acid (PubChem CID 15956863) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 3-naphthalen-2-yl-1-pyridin-2-ylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-naphthalen-2-yl-1-pyridin-2-ylpyrazole-5-carboxylic acid
PubChem CID15956863
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name3-naphthalen-2-yl-1-pyridin-2-ylpyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3ccccc3c2)nn1-c1ccccn1
InChIInChI=1S/C19H13N3O2/c23-19(24)17-12-16(21-22(17)18-7-3-4-10-20-18)15-9-8-13-5-1-2-6-14(13)11-15/h1-12H,(H,23,24)
InChIKeyDDPUPYXPNBRBFX-UHFFFAOYSA-N
XLogP3.79
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-phenyl-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7064016
2-(5-p-tolyl-1H-pyrazol-1-yl)isonicotinic acid
CID 76901247
6-(4-Benzoylphenyl)-1-(Pyridin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]pyridine-4-Carboxylic Acid
CID 60196213
5-(2'',4''-Dichloro-biphenyl-4-yl)-1-pyridin-2-yl-1H-pyrazole-3-carboxylic acid
CID 10250987
3-butyl-1-pyridin-2-yl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-5-carboxylic acid
CID 14971711
2-(5-phenyl-1H-pyrazol-1-yl)isonicotinic acid
CID 86725498
6-phenyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2535053
Ethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate
CID 5223324
ethyl 3-butyl-1-pyridin-2-yl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-5-carboxylate
CID 14971686
6-[4-(Hydroxymethyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600114
1-(Pyridin-4-ylmethyl)-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600251
6-(4-Cyanophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600399

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-1-pyridin-2-ylpyrazole-5-carboxylic acid?
The IUPAC name of 3-naphthalen-2-yl-1-pyridin-2-ylpyrazole-5-carboxylic acid (CID 15956863) is 3-naphthalen-2-yl-1-pyridin-2-ylpyrazole-5-carboxylic acid.
What is the SMILES notation for 3-naphthalen-2-yl-1-pyridin-2-ylpyrazole-5-carboxylic acid?
The canonical SMILES for 3-naphthalen-2-yl-1-pyridin-2-ylpyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc3ccccc3c2)nn1-c1ccccn1.
What is the InChIKey of 3-naphthalen-2-yl-1-pyridin-2-ylpyrazole-5-carboxylic acid?
The InChIKey is DDPUPYXPNBRBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c23-19(24)17-12-16(21-22(17)18-7-3-4-10-20-18)15-9-8-13-5-1-2-6-14(13)11-15/h1-12H,(H,23,24).
What are the key properties of 3-naphthalen-2-yl-1-pyridin-2-ylpyrazole-5-carboxylic acid?
3-naphthalen-2-yl-1-pyridin-2-ylpyrazole-5-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-1-pyridin-2-ylpyrazole-5-carboxylic acid is sourced from PubChem (CID 15956863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).