2-(3-methyl-5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid

C17H15N3O3 — CID 90205295

IUPAC2-(3-methyl-5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid
SMILESCc1cc(OCc2ccccc2)n(-c2cc(C(=O)O)ccn2)n1
InChIInChI=1S/C17H15N3O3/c1-12-9-16(23-11-13-5-3-2-4-6-13)20(19-12)15-10-14(17(21)22)7-8-18-15/h2-10H,11H2,1H3,(H,21,22)
InChIKeyOKWTXEOPPSGVKX-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.85
Rot. Bonds5

About 2-(3-methyl-5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid

2-(3-methyl-5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid (PubChem CID 90205295) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-(3-methyl-5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-methyl-5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid
PubChem CID90205295
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name2-(3-methyl-5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid
SMILESCc1cc(OCc2ccccc2)n(-c2cc(C(=O)O)ccn2)n1
InChIInChI=1S/C17H15N3O3/c1-12-9-16(23-11-13-5-3-2-4-6-13)20(19-12)15-10-14(17(21)22)7-8-18-15/h2-10H,11H2,1H3,(H,21,22)
InChIKeyOKWTXEOPPSGVKX-UHFFFAOYSA-N
XLogP2.85
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(3-chlorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205608
2-[5-[(4-fluorophenyl)methoxy]-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid
CID 90204893
2-[5-[(3,4-difluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205226
2-[2-(5-bromo-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]pyridine-4-carboxylic acid;ethyl 2-[2-(5-bromo-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]pyridine-4-carboxylate
CID 160978822
2-[5-[(3-chloro-4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205241
2-[5-[[4-chloro-2-(2-phenylethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205285
2-[5-(3-hydroxy-4-methylphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid
CID 130252074
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
(5-methyl-2-phenylpyrazol-3-yl) hydrogen carbonate
CID 175140326
2-(4-amino-3-methyl-5-nitrosopyrazol-1-yl)pyridine-4-carboxylic acid
CID 155199574
methyl 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate
CID 86725564
(5-methyl-2-phenylpyrazol-3-yl)oxymethyl 3-(dimethylamino)-2-phenylmethoxybenzoate
CID 146423997

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(3-methyl-5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid (CID 90205295) is 2-(3-methyl-5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-methyl-5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-methyl-5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid is Cc1cc(OCc2ccccc2)n(-c2cc(C(=O)O)ccn2)n1.
What is the InChIKey of 2-(3-methyl-5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid?
The InChIKey is OKWTXEOPPSGVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-12-9-16(23-11-13-5-3-2-4-6-13)20(19-12)15-10-14(17(21)22)7-8-18-15/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of 2-(3-methyl-5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid?
2-(3-methyl-5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid has a molecular weight of 309.33 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 90205295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).