methyl 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate

C17H14BrN3O3 — CID 86725564

IUPACmethyl 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-n2nccc2OCc2ccc(Br)cc2)c1
InChIInChI=1S/C17H14BrN3O3/c1-23-17(22)13-6-8-19-15(10-13)21-16(7-9-20-21)24-11-12-2-4-14(18)5-3-12/h2-10H,11H2,1H3
InChIKeyUIPNSWXGXWJZCM-UHFFFAOYSA-N
MW388.22 g/mol
LogP3.40
Rot. Bonds5

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

methyl 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate (PubChem CID 86725564) has the molecular formula C17H14BrN3O3 and a molecular weight of 388.22 g/mol. Its IUPAC name is methyl 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate
PubChem CID86725564
Molecular FormulaC17H14BrN3O3
Molecular Weight388.22 g/mol
Exact Mass387.02
IUPAC Namemethyl 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-n2nccc2OCc2ccc(Br)cc2)c1
InChIInChI=1S/C17H14BrN3O3/c1-23-17(22)13-6-8-19-15(10-13)21-16(7-9-20-21)24-11-12-2-4-14(18)5-3-12/h2-10H,11H2,1H3
InChIKeyUIPNSWXGXWJZCM-UHFFFAOYSA-N
XLogP3.40
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate
CID 86725569
methyl 2-[5-[(3-fluorocyclohexa-1,3-dien-1-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate
CID 155486294
2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine
CID 118126969
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-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725529
methyl 3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxybenzoate
CID 91679930
2-[5-[3-(4-fluorophenyl)propoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 118126981
methyl 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]pyridine-4-carboxylate
CID 58247772
1-[2-[(4-bromophenyl)methoxy]-4-pyridinyl]ethanone
CID 82827387
methyl 1-[(4-bromophenyl)methyl]pyrazole-4-carboxylate
CID 154827636
2-(3-methyl-5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylic acid
CID 90205295

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate (CID 86725564) is methyl 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate is COC(=O)c1ccnc(-n2nccc2OCc2ccc(Br)cc2)c1.
What is the InChIKey of methyl 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate?
The InChIKey is UIPNSWXGXWJZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O3/c1-23-17(22)13-6-8-19-15(10-13)21-16(7-9-20-21)24-11-12-2-4-14(18)5-3-12/h2-10H,11H2,1H3.
What are the key properties of methyl 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate?
methyl 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate has a molecular weight of 388.22 g/mol, XLogP of 3.40, 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-bromophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate is sourced from PubChem (CID 86725564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).