methyl 2-[5-[(4-chloro-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate

C17H13ClFN3O3 — CID 90205857

IUPACmethyl 2-[5-[(4-chloro-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-n2nccc2OCc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C17H13ClFN3O3/c1-24-17(23)12-4-6-20-15(9-12)22-16(5-7-21-22)25-10-11-2-3-13(18)14(19)8-11/h2-9H,10H2,1H3
InChIKeyWVIBKNPENSOFSM-UHFFFAOYSA-N
MW361.76 g/mol
LogP3.43
Rot. Bonds5

About methyl 2-[5-[(4-chloro-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate

methyl 2-[5-[(4-chloro-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate (PubChem CID 90205857) has the molecular formula C17H13ClFN3O3 and a molecular weight of 361.76 g/mol. Its IUPAC name is methyl 2-[5-[(4-chloro-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[5-[(4-chloro-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate
PubChem CID90205857
Molecular FormulaC17H13ClFN3O3
Molecular Weight361.76 g/mol
Exact Mass361.06
IUPAC Namemethyl 2-[5-[(4-chloro-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-n2nccc2OCc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C17H13ClFN3O3/c1-24-17(23)12-4-6-20-15(9-12)22-16(5-7-21-22)25-10-11-2-3-13(18)14(19)8-11/h2-9H,10H2,1H3
InChIKeyWVIBKNPENSOFSM-UHFFFAOYSA-N
XLogP3.43
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.76
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-((4-Chlorobenzyl)oxy)-1H-pyrazol-1-yl)isonicotinic acid
CID 90204862
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-[5-[(4-Chloro-2-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90204662
2-(4-[2-(Dimethylamino)ethyl]-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205353
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
2-[5-[(4-Fluorophenyl)methoxy]-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid
CID 90204893
2-{5-[(4-bromobenzyl)oxy]-1H-pyrazol-1-yl}pyridine-4-carboxylic acid
CID 90204921
2-{5-[(4-cyclopropylbenzyl)oxy]-1H-pyrazol-1-yl}pyridine-4-carboxylic acid
CID 90204958

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(4-chloro-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[5-[(4-chloro-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate (CID 90205857) is methyl 2-[5-[(4-chloro-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[5-[(4-chloro-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[5-[(4-chloro-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate is COC(=O)c1ccnc(-n2nccc2OCc2ccc(Cl)c(F)c2)c1.
What is the InChIKey of methyl 2-[5-[(4-chloro-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate?
The InChIKey is WVIBKNPENSOFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O3/c1-24-17(23)12-4-6-20-15(9-12)22-16(5-7-21-22)25-10-11-2-3-13(18)14(19)8-11/h2-9H,10H2,1H3.
What are the key properties of methyl 2-[5-[(4-chloro-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate?
methyl 2-[5-[(4-chloro-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate has a molecular weight of 361.76 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(4-chloro-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate is sourced from PubChem (CID 90205857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).