4-[3-(2-bromophenyl)-4-methylpyrazol-1-yl]pyridine;carbon dioxide;4-[3-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[3-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[4-methyl-3-(2-methylphenyl)pyrazol-1-yl]pyridine;4-[4-methyl-3-(4-methylphenyl)pyrazol-1-yl]pyridine;2-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(3-phenylpyrazol-1-yl)pyridine

C120H101BrF2N26O2 — CID 159151017

IUPAC4-[3-(2-bromophenyl)-4-methylpyrazol-1-yl]pyridine;carbon dioxide;4-[3-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[3-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[4-methyl-3-(2-methylphenyl)pyrazol-1-yl]pyridine;4-[4-methyl-3-(4-methylphenyl)pyrazol-1-yl]pyridine;2-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(3-phenylpyrazol-1-yl)pyridine
SMILESCc1ccc(-c2nn(-c3ccncc3)cc2C)cc1.Cc1ccccc1-c1nn(-c2ccncc2)cc1C.Cc1cn(-c2ccncc2)nc1-c1ccc(F)cc1.Cc1cn(-c2ccncc2)nc1-c1cccc(F)c1.Cc1cn(-c2ccncc2)nc1-c1ccccc1Br.Cc1cn(-c2ccncc2)nc1-c1ccccn1.Cc1cn(-c2ccncc2)nc1-c1ccncc1.O=C=O.c1ccc(-c2ccn(-c3ccncc3)n2)cc1
InChIInChI=1S/2C16H15N3.C15H12BrN3.2C15H12FN3.2C14H12N4.C14H11N3.CO2/c1-12-3-5-14(6-4-12)16-13(2)11-19(18-16)15-7-9-17-10-8-15;1-12-5-3-4-6-15(12)16-13(2)11-19(18-16)14-7-9-17-10-8-14;1-11-10-19(12-6-8-17-9-7-12)18-15(11)13-4-2-3-5-14(13)16;1-11-10-19(14-6-8-17-9-7-14)18-15(11)12-2-4-13(16)5-3-12;1-11-10-19(14-5-7-17-8-6-14)18-15(11)12-3-2-4-13(16)9-12;1-11-10-18(13-4-8-16-9-5-13)17-14(11)12-2-6-15-7-3-12;1-11-10-18(12-5-8-15-9-6-12)17-14(11)13-4-2-3-7-16-13;1-2-4-12(5-3-1)14-8-11-17(16-14)13-6-9-15-10-7-13;2-1-3/h2*3-11H,1-2H3;3*2-10H,1H3;2*2-10H,1H3;1-11H;
InChIKeyKJHCLNQXHARTSV-UHFFFAOYSA-N
MW2057.21 g/mol
LogP25.50
Rot. Bonds16

About 4-[3-(2-bromophenyl)-4-methylpyrazol-1-yl]pyridine;carbon dioxide;4-[3-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[3-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[4-methyl-3-(2-methylphenyl)pyrazol-1-yl]pyridine;4-[4-methyl-3-(4-methylphenyl)pyrazol-1-yl]pyridine;2-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(3-phenylpyrazol-1-yl)pyridine

4-[3-(2-bromophenyl)-4-methylpyrazol-1-yl]pyridine;carbon dioxide;4-[3-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[3-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[4-methyl-3-(2-methylphenyl)pyrazol-1-yl]pyridine;4-[4-methyl-3-(4-methylphenyl)pyrazol-1-yl]pyridine;2-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(3-phenylpyrazol-1-yl)pyridine (PubChem CID 159151017) has the molecular formula C120H101BrF2N26O2 and a molecular weight of 2057.21 g/mol. Its IUPAC name is 4-[3-(2-bromophenyl)-4-methylpyrazol-1-yl]pyridine;carbon dioxide;4-[3-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[3-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[4-methyl-3-(2-methylphenyl)pyrazol-1-yl]pyridine;4-[4-methyl-3-(4-methylphenyl)pyrazol-1-yl]pyridine;2-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(3-phenylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name4-[3-(2-bromophenyl)-4-methylpyrazol-1-yl]pyridine;carbon dioxide;4-[3-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[3-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[4-methyl-3-(2-methylphenyl)pyrazol-1-yl]pyridine;4-[4-methyl-3-(4-methylphenyl)pyrazol-1-yl]pyridine;2-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(3-phenylpyrazol-1-yl)pyridine
PubChem CID159151017
Molecular FormulaC120H101BrF2N26O2
Molecular Weight2057.21 g/mol
Exact Mass2054.78
IUPAC Name4-[3-(2-bromophenyl)-4-methylpyrazol-1-yl]pyridine;carbon dioxide;4-[3-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[3-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[4-methyl-3-(2-methylphenyl)pyrazol-1-yl]pyridine;4-[4-methyl-3-(4-methylphenyl)pyrazol-1-yl]pyridine;2-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(3-phenylpyrazol-1-yl)pyridine
SMILESCc1ccc(-c2nn(-c3ccncc3)cc2C)cc1.Cc1ccccc1-c1nn(-c2ccncc2)cc1C.Cc1cn(-c2ccncc2)nc1-c1ccc(F)cc1.Cc1cn(-c2ccncc2)nc1-c1cccc(F)c1.Cc1cn(-c2ccncc2)nc1-c1ccccc1Br.Cc1cn(-c2ccncc2)nc1-c1ccccn1.Cc1cn(-c2ccncc2)nc1-c1ccncc1.O=C=O.c1ccc(-c2ccn(-c3ccncc3)n2)cc1
InChIInChI=1S/2C16H15N3.C15H12BrN3.2C15H12FN3.2C14H12N4.C14H11N3.CO2/c1-12-3-5-14(6-4-12)16-13(2)11-19(18-16)15-7-9-17-10-8-15;1-12-5-3-4-6-15(12)16-13(2)11-19(18-16)14-7-9-17-10-8-14;1-11-10-19(12-6-8-17-9-7-12)18-15(11)13-4-2-3-5-14(13)16;1-11-10-19(14-6-8-17-9-7-14)18-15(11)12-2-4-13(16)5-3-12;1-11-10-19(14-5-7-17-8-6-14)18-15(11)12-3-2-4-13(16)9-12;1-11-10-18(13-4-8-16-9-5-13)17-14(11)12-2-6-15-7-3-12;1-11-10-18(12-5-8-15-9-6-12)17-14(11)13-4-2-3-7-16-13;1-2-4-12(5-3-1)14-8-11-17(16-14)13-6-9-15-10-7-13;2-1-3/h2*3-11H,1-2H3;3*2-10H,1H3;2*2-10H,1H3;1-11H;
InChIKeyKJHCLNQXHARTSV-UHFFFAOYSA-N
XLogP25.50
TPSA305.60 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds16
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002057.21
LogP ≤ 525.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 4-[3-(2-bromophenyl)-4-methylpyrazol-1-yl]pyridine;carbon dioxide;4-[3-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[3-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[4-methyl-3-(2-methylphenyl)pyrazol-1-yl]pyridine;4-[4-methyl-3-(4-methylphenyl)pyrazol-1-yl]pyridine;2-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(3-phenylpyrazol-1-yl)pyridine with MolForge

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Related Compounds

2-[1-[[2,3,4,5,6-Pentakis[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine
CID 16159901
2-[1-[[5-[(3-Pyridin-2-ylpyrazol-1-yl)methyl]naphthalen-1-yl]methyl]pyrazol-3-yl]pyridine
CID 139117430
Tris([3,4-bis(3,5-difluoro-2-pyridin-2-ylphenyl)pyrazol-1-yl]-tri(pyrazol-1-yl)boranuide);iridium(3+)
CID 140603955
3-Bromo-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-bromopyrazolo[1,5-a]pyridine;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine
CID 157079343
2,4-Dimethyl-3-[2-methyl-4-(2-methyl-6-phenylphenyl)pyrazol-2-ium-1-yl]pyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4,6-trimethylpyridine;3-[4-[2,6-di(propan-2-yl)phenyl]-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;2,4,6-trimethyl-3-(2-methyl-4-phenylpyrazol-2-ium-1-yl)pyridine
CID 157298129
2,4-Dimethyl-6-(2-methylphenyl)-3-(2-methylpyrazol-2-ium-1-yl)pyridine;2,4-dimethyl-3-(2-methyl-4-phenylpyrazol-2-ium-1-yl)pyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;3-[4-(2,6-diphenylphenyl)-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine;3-[4-[2,6-di(propan-2-yl)phenyl]-2-methylpyrazol-2-ium-1-yl]-2,4-dimethylpyridine
CID 157321451
Tris(4-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1-carbonitrile);4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]-3-fluorophenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-pyrazolo[1,5-a]pyrazin-4-ylcyclohexane-1-carbonitrile;4-pyrazolo[1,5-a]pyrazin-4-ylcyclohex-3-ene-1-carbonitrile
CID 157764568
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(3,5-dimethyl-1-(3-phenylbenzene-6-id-1-yl)pyrazole);pentakis(iridium);bis(1-(3-phenylbenzene-6-id-1-yl)pyrazole);1-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyrazole;tris(2-phenylpyridine)
CID 158032152
2-(4-Bromophenyl)pyrazolo[1,5-b]isoquinoline;2-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)pyrazolo[1,5-b]isoquinoline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-b]isoquinoline
CID 158280108
3-[3,5-Dimethyl-4-(10-phenylanthracen-9-yl)pyrazol-1-yl]pyridine;4-[3,5-dimethyl-4-(10-phenylanthracen-9-yl)pyrazol-1-yl]pyridine;3,5-dimethyl-1-phenyl-4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]pyrazole;3,5-dimethyl-1-phenyl-4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]pyrazole;2-[3-[10-(3,5-dimethyl-1-phenylpyrazol-4-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine;4-[3-[10-(3,5-dimethyl-1-phenylpyrazol-4-yl)anthracen-9-yl]-5-pyridin-4-ylphenyl]pyridine
CID 159374812
5-[2,6-Difluoro-4-[2-(2-fluorophenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[4-[2-(2,6-difluorophenyl)ethyl]-2,6-difluorophenyl]-1,3-dimethylpyrazole;3-[2-[4-(2,5-dimethylpyrazol-3-yl)-3-fluorophenyl]ethyl]-5-methylpyridine;5-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole;5-[2-fluoro-4-[2-(2-methylphenyl)ethyl]phenyl]-1,3-dimethylpyrazole
CID 159548253
2,4-Dimethyl-3-(2-methylpyrazol-2-ium-1-yl)-6-propan-2-ylpyridine;6-(2,6-dimethylphenyl)-2,4-dimethyl-3-(2-methylpyrazol-2-ium-1-yl)pyridine;3-[4-(2,6-dimethylphenyl)-2-methylpyrazol-2-ium-1-yl]-4-methylpyridine;3-[4-(2,6-diphenylphenyl)-2-methylpyrazol-2-ium-1-yl]-4-methylpyridine;3-[4-[2,6-di(propan-2-yl)phenyl]-2-methylpyrazol-2-ium-1-yl]-4-methylpyridine
CID 160202065

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-bromophenyl)-4-methylpyrazol-1-yl]pyridine;carbon dioxide;4-[3-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[3-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[4-methyl-3-(2-methylphenyl)pyrazol-1-yl]pyridine;4-[4-methyl-3-(4-methylphenyl)pyrazol-1-yl]pyridine;2-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(3-phenylpyrazol-1-yl)pyridine?
The IUPAC name of 4-[3-(2-bromophenyl)-4-methylpyrazol-1-yl]pyridine;carbon dioxide;4-[3-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[3-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[4-methyl-3-(2-methylphenyl)pyrazol-1-yl]pyridine;4-[4-methyl-3-(4-methylphenyl)pyrazol-1-yl]pyridine;2-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(3-phenylpyrazol-1-yl)pyridine (CID 159151017) is 4-[3-(2-bromophenyl)-4-methylpyrazol-1-yl]pyridine;carbon dioxide;4-[3-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[3-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[4-methyl-3-(2-methylphenyl)pyrazol-1-yl]pyridine;4-[4-methyl-3-(4-methylphenyl)pyrazol-1-yl]pyridine;2-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(3-phenylpyrazol-1-yl)pyridine.
What is the SMILES notation for 4-[3-(2-bromophenyl)-4-methylpyrazol-1-yl]pyridine;carbon dioxide;4-[3-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[3-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[4-methyl-3-(2-methylphenyl)pyrazol-1-yl]pyridine;4-[4-methyl-3-(4-methylphenyl)pyrazol-1-yl]pyridine;2-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(3-phenylpyrazol-1-yl)pyridine?
The canonical SMILES for 4-[3-(2-bromophenyl)-4-methylpyrazol-1-yl]pyridine;carbon dioxide;4-[3-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[3-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[4-methyl-3-(2-methylphenyl)pyrazol-1-yl]pyridine;4-[4-methyl-3-(4-methylphenyl)pyrazol-1-yl]pyridine;2-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(3-phenylpyrazol-1-yl)pyridine is Cc1ccc(-c2nn(-c3ccncc3)cc2C)cc1.Cc1ccccc1-c1nn(-c2ccncc2)cc1C.Cc1cn(-c2ccncc2)nc1-c1ccc(F)cc1.Cc1cn(-c2ccncc2)nc1-c1cccc(F)c1.Cc1cn(-c2ccncc2)nc1-c1ccccc1Br.Cc1cn(-c2ccncc2)nc1-c1ccccn1.Cc1cn(-c2ccncc2)nc1-c1ccncc1.O=C=O.c1ccc(-c2ccn(-c3ccncc3)n2)cc1.
What is the InChIKey of 4-[3-(2-bromophenyl)-4-methylpyrazol-1-yl]pyridine;carbon dioxide;4-[3-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[3-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[4-methyl-3-(2-methylphenyl)pyrazol-1-yl]pyridine;4-[4-methyl-3-(4-methylphenyl)pyrazol-1-yl]pyridine;2-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(3-phenylpyrazol-1-yl)pyridine?
The InChIKey is KJHCLNQXHARTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H15N3.C15H12BrN3.2C15H12FN3.2C14H12N4.C14H11N3.CO2/c1-12-3-5-14(6-4-12)16-13(2)11-19(18-16)15-7-9-17-10-8-15;1-12-5-3-4-6-15(12)16-13(2)11-19(18-16)14-7-9-17-10-8-14;1-11-10-19(12-6-8-17-9-7-12)18-15(11)13-4-2-3-5-14(13)16;1-11-10-19(14-6-8-17-9-7-14)18-15(11)12-2-4-13(16)5-3-12;1-11-10-19(14-5-7-17-8-6-14)18-15(11)12-3-2-4-13(16)9-12;1-11-10-18(13-4-8-16-9-5-13)17-14(11)12-2-6-15-7-3-12;1-11-10-18(12-5-8-15-9-6-12)17-14(11)13-4-2-3-7-16-13;1-2-4-12(5-3-1)14-8-11-17(16-14)13-6-9-15-10-7-13;2-1-3/h2*3-11H,1-2H3;3*2-10H,1H3;2*2-10H,1H3;1-11H;.
What are the key properties of 4-[3-(2-bromophenyl)-4-methylpyrazol-1-yl]pyridine;carbon dioxide;4-[3-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[3-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[4-methyl-3-(2-methylphenyl)pyrazol-1-yl]pyridine;4-[4-methyl-3-(4-methylphenyl)pyrazol-1-yl]pyridine;2-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(3-phenylpyrazol-1-yl)pyridine?
4-[3-(2-bromophenyl)-4-methylpyrazol-1-yl]pyridine;carbon dioxide;4-[3-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[3-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[4-methyl-3-(2-methylphenyl)pyrazol-1-yl]pyridine;4-[4-methyl-3-(4-methylphenyl)pyrazol-1-yl]pyridine;2-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(3-phenylpyrazol-1-yl)pyridine has a molecular weight of 2057.21 g/mol, XLogP of 25.50, 16 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-bromophenyl)-4-methylpyrazol-1-yl]pyridine;carbon dioxide;4-[3-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[3-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine;4-[4-methyl-3-(2-methylphenyl)pyrazol-1-yl]pyridine;4-[4-methyl-3-(4-methylphenyl)pyrazol-1-yl]pyridine;2-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(4-methyl-1-pyridin-4-ylpyrazol-3-yl)pyridine;4-(3-phenylpyrazol-1-yl)pyridine is sourced from PubChem (CID 159151017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).