6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-2-carboxylic acid

C16H13N3O3 — CID 11630741

IUPAC6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-2-carboxylic acid
SMILESCOc1ccc(-n2cc(-c3cccc(C(=O)O)n3)cn2)cc1
InChIInChI=1S/C16H13N3O3/c1-22-13-7-5-12(6-8-13)19-10-11(9-17-19)14-3-2-4-15(18-14)16(20)21/h2-10H,1H3,(H,20,21)
InChIKeyNAIKMYIJDGXUCC-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.64
Rot. Bonds4

About 6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-2-carboxylic acid

6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-2-carboxylic acid (PubChem CID 11630741) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-2-carboxylic acid
PubChem CID11630741
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-2-carboxylic acid
SMILESCOc1ccc(-n2cc(-c3cccc(C(=O)O)n3)cn2)cc1
InChIInChI=1S/C16H13N3O3/c1-22-13-7-5-12(6-8-13)19-10-11(9-17-19)14-3-2-4-15(18-14)16(20)21/h2-10H,1H3,(H,20,21)
InChIKeyNAIKMYIJDGXUCC-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

1-(4-methoxyphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
CID 750186
3-(3-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 2377173
Ethyl 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylate
CID 2405912
3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 788035
6-[(6-Methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151149
6-[[6-Chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 123512315
2-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]acetic acid
CID 3646870
3-[3-(5-methylfuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enoic acid
CID 876610
6-[(5-Methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704834
6-[[6-Chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 123163794
3-Tert-butyl-1-[(6-phenoxy-3-pyridinyl)methyl]pyrazole-5-carboxylic acid
CID 162643329
1-Benzyl-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 15991008

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-2-carboxylic acid (CID 11630741) is 6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-2-carboxylic acid is COc1ccc(-n2cc(-c3cccc(C(=O)O)n3)cn2)cc1.
What is the InChIKey of 6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-2-carboxylic acid?
The InChIKey is NAIKMYIJDGXUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-13-7-5-12(6-8-13)19-10-11(9-17-19)14-3-2-4-15(18-14)16(20)21/h2-10H,1H3,(H,20,21).
What are the key properties of 6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-2-carboxylic acid?
6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-2-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 6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 11630741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).