2-[5-[3-(4-fluorophenyl)propoxy]pyrazol-1-yl]pyridine-4-carboxylic acid

C18H16FN3O3 — CID 118126981

IUPAC2-[5-[3-(4-fluorophenyl)propoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2nccc2OCCCc2ccc(F)cc2)c1
InChIInChI=1S/C18H16FN3O3/c19-15-5-3-13(4-6-15)2-1-11-25-17-8-10-21-22(17)16-12-14(18(23)24)7-9-20-16/h3-10,12H,1-2,11H2,(H,23,24)
InChIKeyKDVJXWPGNRHZBE-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.12
Rot. Bonds7

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

2-[5-[3-(4-fluorophenyl)propoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 118126981) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-[5-[3-(4-fluorophenyl)propoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-[3-(4-fluorophenyl)propoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID118126981
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name2-[5-[3-(4-fluorophenyl)propoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2nccc2OCCCc2ccc(F)cc2)c1
InChIInChI=1S/C18H16FN3O3/c19-15-5-3-13(4-6-15)2-1-11-25-17-8-10-21-22(17)16-12-14(18(23)24)7-9-20-16/h3-10,12H,1-2,11H2,(H,23,24)
InChIKeyKDVJXWPGNRHZBE-UHFFFAOYSA-N
XLogP3.12
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-[(3,4-difluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205226
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-chlorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205608
2-[5-[(2,4-difluorocyclohexa-1,3-dien-1-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 155486282
2-[5-[(4,4-difluorocyclohexyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205567
2-[5-[(4-fluorophenyl)methoxy]-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid
CID 90204893
2-[5-[(3-fluoro-3-methylcyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 130252192
2-[5-[[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205315
2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid
CID 135308148
methyl 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate
CID 86725564
2-[5-[(4-chlorophenyl)methoxy]-4-[3-(dimethylamino)propyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid
CID 157351779

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(4-fluorophenyl)propoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-[3-(4-fluorophenyl)propoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (CID 118126981) is 2-[5-[3-(4-fluorophenyl)propoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-[3-(4-fluorophenyl)propoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-[3-(4-fluorophenyl)propoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-n2nccc2OCCCc2ccc(F)cc2)c1.
What is the InChIKey of 2-[5-[3-(4-fluorophenyl)propoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is KDVJXWPGNRHZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c19-15-5-3-13(4-6-15)2-1-11-25-17-8-10-21-22(17)16-12-14(18(23)24)7-9-20-16/h3-10,12H,1-2,11H2,(H,23,24).
What are the key properties of 2-[5-[3-(4-fluorophenyl)propoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-[3-(4-fluorophenyl)propoxy]pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 341.34 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(4-fluorophenyl)propoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 118126981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).