2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid

C16H12ClN3O3 — CID 90205356

IUPAC2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCOc1cc(-c2ccnn2-c2cc(C(=O)O)ccn2)ccc1Cl
InChIInChI=1S/C16H12ClN3O3/c1-23-14-8-10(2-3-12(14)17)13-5-7-19-20(13)15-9-11(16(21)22)4-6-18-15/h2-9H,1H3,(H,21,22)
InChIKeyBEOSCPUYUHDKBT-UHFFFAOYSA-N
MW329.74 g/mol
LogP3.29
Rot. Bonds4

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

2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 90205356) has the molecular formula C16H12ClN3O3 and a molecular weight of 329.74 g/mol. Its IUPAC name is 2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID90205356
Molecular FormulaC16H12ClN3O3
Molecular Weight329.74 g/mol
Exact Mass329.06
IUPAC Name2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCOc1cc(-c2ccnn2-c2cc(C(=O)O)ccn2)ccc1Cl
InChIInChI=1S/C16H12ClN3O3/c1-23-14-8-10(2-3-12(14)17)13-5-7-19-20(13)15-9-11(16(21)22)4-6-18-15/h2-9H,1H3,(H,21,22)
InChIKeyBEOSCPUYUHDKBT-UHFFFAOYSA-N
XLogP3.29
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-{5-[(4-Chloro-2-Methylphenyl)methoxy]-1h-Pyrazol-1-Yl}pyridine-4-Carboxylic Acid
CID 74766595
2-[5-(3-hydroxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid
CID 76901620
2-(5-((4-Chlorobenzyl)oxy)-1H-pyrazol-1-yl)isonicotinic acid
CID 90204862
2-[5-[(4-Chloro-2-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90204662
2-(5-(3-hydroxy-4-methylphenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901248
2-(5-(3-methoxy-4-methylphenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901619
2-[5-[[4-Chloro-2-(cyclopropylmethoxy(phenyl] methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90204966
2-{5-[(4-chloro-2-fluorobenzyl)oxy]-1H-pyrazol-1-yl}pyridine-4-carboxylic acid
CID 90205153
Methyl 2-(5-((4-chlorobenzyl)oxy)-1H-pyrazol-1-yl)isonicotinate
CID 90205235
2-[5-[(4-Chloro-2-ethoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205326
2-[5-[(4-Chloro-2-phenylmethoxyphenyl)methoxy] pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205426
2-[5-[(3-Chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 86725570

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid (CID 90205356) is 2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid is COc1cc(-c2ccnn2-c2cc(C(=O)O)ccn2)ccc1Cl.
What is the InChIKey of 2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is BEOSCPUYUHDKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3/c1-23-14-8-10(2-3-12(14)17)13-5-7-19-20(13)15-9-11(16(21)22)4-6-18-15/h2-9H,1H3,(H,21,22).
What are the key properties of 2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 329.74 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chloro-3-methoxyphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90205356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).