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

C16H12ClN3O3 — CID 90205608

IUPAC2-[5-[(3-chlorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2nccc2OCc2cccc(Cl)c2)c1
InChIInChI=1S/C16H12ClN3O3/c17-13-3-1-2-11(8-13)10-23-15-5-7-19-20(15)14-9-12(16(21)22)4-6-18-14/h1-9H,10H2,(H,21,22)
InChIKeyICHXMUXDEGLEPY-UHFFFAOYSA-N
MW329.74 g/mol
LogP3.20
Rot. Bonds5

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

2-[5-[(3-chlorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 90205608) has the molecular formula C16H12ClN3O3 and a molecular weight of 329.74 g/mol. Its IUPAC name is 2-[5-[(3-chlorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-[(3-chlorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID90205608
Molecular FormulaC16H12ClN3O3
Molecular Weight329.74 g/mol
Exact Mass329.06
IUPAC Name2-[5-[(3-chlorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2nccc2OCc2cccc(Cl)c2)c1
InChIInChI=1S/C16H12ClN3O3/c17-13-3-1-2-11(8-13)10-23-15-5-7-19-20(15)14-9-12(16(21)22)4-6-18-14/h1-9H,10H2,(H,21,22)
InChIKeyICHXMUXDEGLEPY-UHFFFAOYSA-N
XLogP3.20
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(3-chloro-4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205241
2-[5-[(3,4-difluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205226
2-[5-[[4-chloro-2-(2-phenylethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205285
2-[5-[[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205315
methyl 2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate
CID 86725569
2-[5-[3-(4-fluorophenyl)propoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 118126981
2-(3-methyl-5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid
CID 90205295
methyl 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate
CID 86725564
2-[5-[(3-fluoro-3-methylcyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 130252192
4-[(3-chlorophenyl)methoxy]-3,5-dimethoxybenzoic acid
CID 59303396
4-[(3-chlorophenyl)methoxy]-3,5-difluorobenzoic acid
CID 65124850
2-[5-[(3-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725514

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-chlorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-[(3-chlorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (CID 90205608) is 2-[5-[(3-chlorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-[(3-chlorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-[(3-chlorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-n2nccc2OCc2cccc(Cl)c2)c1.
What is the InChIKey of 2-[5-[(3-chlorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is ICHXMUXDEGLEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3/c17-13-3-1-2-11(8-13)10-23-15-5-7-19-20(15)14-9-12(16(21)22)4-6-18-14/h1-9H,10H2,(H,21,22).
What are the key properties of 2-[5-[(3-chlorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-[(3-chlorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 329.74 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-chlorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90205608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).