2-[5-(3-methoxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid

C17H15N3O3 — CID 76901619

IUPAC2-[5-(3-methoxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCOc1cc(-c2ccnn2-c2cc(C(=O)O)ccn2)ccc1C
InChIInChI=1S/C17H15N3O3/c1-11-3-4-12(9-15(11)23-2)14-6-8-19-20(14)16-10-13(17(21)22)5-7-18-16/h3-10H,1-2H3,(H,21,22)
InChIKeyDQZXWCVKIBSQAJ-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.95
Rot. Bonds4

About 2-[5-(3-methoxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid

2-[5-(3-methoxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 76901619) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-[5-(3-methoxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(3-methoxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID76901619
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name2-[5-(3-methoxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCOc1cc(-c2ccnn2-c2cc(C(=O)O)ccn2)ccc1C
InChIInChI=1S/C17H15N3O3/c1-11-3-4-12(9-15(11)23-2)14-6-8-19-20(14)16-10-13(17(21)22)5-7-18-16/h3-10H,1-2H3,(H,21,22)
InChIKeyDQZXWCVKIBSQAJ-UHFFFAOYSA-N
XLogP2.95
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-p-tolyl-1H-pyrazol-1-yl)isonicotinic acid
CID 76901247
2-[5-(3-hydroxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid
CID 76901620
2-[5-[(4-Fluorophenyl)methoxy]-4-(2-hydroxyethyl)pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205053
2-(5-(benzyloxy)-1H-pyrazol-1-yl)isonicotinic acid
CID 86725535
2-[5-[(4-Cyanophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 86725568
2-(4-[2-(Dimethylamino)ethyl]-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205353
7-(4-Methoxyphenyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 4774630
1-[6-(3-Propan-2-yloxyphenyl)pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 126754445
2-(5-(3-hydroxy-4-methylphenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901248
2-(5-phenyl-1H-pyrazol-1-yl)isonicotinic acid
CID 86725498
2-(5-{[4-(trifluoromethyl)benzyl]oxy}-1H-pyrazol-1-yl)pyridine-4-carboxylic acid
CID 90204812
2-(5-((4-Methoxybenzyl)oxy)-1H-pyrazol-1-yl)isonicotinic acid
CID 90204861

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methoxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-(3-methoxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid (CID 76901619) is 2-[5-(3-methoxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-(3-methoxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-(3-methoxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid is COc1cc(-c2ccnn2-c2cc(C(=O)O)ccn2)ccc1C.
What is the InChIKey of 2-[5-(3-methoxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is DQZXWCVKIBSQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11-3-4-12(9-15(11)23-2)14-6-8-19-20(14)16-10-13(17(21)22)5-7-18-16/h3-10H,1-2H3,(H,21,22).
What are the key properties of 2-[5-(3-methoxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-(3-methoxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 309.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methoxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 76901619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).