1-(3-methoxyphenyl)-5-pyridin-3-ylpyrazole-3-carboxylic acid

C16H13N3O3 — CID 82220360

IUPAC1-(3-methoxyphenyl)-5-pyridin-3-ylpyrazole-3-carboxylic acid
SMILESCOc1cccc(-n2nc(C(=O)O)cc2-c2cccnc2)c1
InChIInChI=1S/C16H13N3O3/c1-22-13-6-2-5-12(8-13)19-15(9-14(18-19)16(20)21)11-4-3-7-17-10-11/h2-10H,1H3,(H,20,21)
InChIKeyGGCRYWKSICDIPL-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.64
Rot. Bonds4

About 1-(3-methoxyphenyl)-5-pyridin-3-ylpyrazole-3-carboxylic acid

1-(3-methoxyphenyl)-5-pyridin-3-ylpyrazole-3-carboxylic acid (PubChem CID 82220360) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-pyridin-3-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-5-pyridin-3-ylpyrazole-3-carboxylic acid
PubChem CID82220360
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name1-(3-methoxyphenyl)-5-pyridin-3-ylpyrazole-3-carboxylic acid
SMILESCOc1cccc(-n2nc(C(=O)O)cc2-c2cccnc2)c1
InChIInChI=1S/C16H13N3O3/c1-22-13-6-2-5-12(8-13)19-15(9-14(18-19)16(20)21)11-4-3-7-17-10-11/h2-10H,1H3,(H,20,21)
InChIKeyGGCRYWKSICDIPL-UHFFFAOYSA-N
XLogP2.64
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid
CID 23090117
N-(2,6-dimethylphenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067674
1-[4-iodo-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carboxylic acid
CID 140763025
1-(3-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid
CID 82361913
5-(1-methylpyrrol-2-yl)-1-pyridin-3-ylpyrazole-3-carboxylic acid
CID 59684373
1-(4-fluorophenyl)-N-(4-methoxyphenyl)-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53002239
[(3S)-3-methoxypiperidin-1-yl]-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)methanone
CID 154848010
methyl 5-(6-methoxy-3-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylate
CID 23143466
3-methoxy-N-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide
CID 134798353
1-(4-fluorophenyl)-N-propan-2-yl-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067783
N-(4-fluorophenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067679
1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid
CID 750183

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-pyridin-3-ylpyrazole-3-carboxylic acid?
The IUPAC name of 1-(3-methoxyphenyl)-5-pyridin-3-ylpyrazole-3-carboxylic acid (CID 82220360) is 1-(3-methoxyphenyl)-5-pyridin-3-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(3-methoxyphenyl)-5-pyridin-3-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-(3-methoxyphenyl)-5-pyridin-3-ylpyrazole-3-carboxylic acid is COc1cccc(-n2nc(C(=O)O)cc2-c2cccnc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-5-pyridin-3-ylpyrazole-3-carboxylic acid?
The InChIKey is GGCRYWKSICDIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-13-6-2-5-12(8-13)19-15(9-14(18-19)16(20)21)11-4-3-7-17-10-11/h2-10H,1H3,(H,20,21).
What are the key properties of 1-(3-methoxyphenyl)-5-pyridin-3-ylpyrazole-3-carboxylic acid?
1-(3-methoxyphenyl)-5-pyridin-3-ylpyrazole-3-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-5-pyridin-3-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 82220360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).