N-[2-chloro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide

C86H86Cl3FN14O8 — CID 167667264

IUPACN-[2-chloro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn(C)n3)cn2)c(Cl)c1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn(C)n3)nc2)c(Cl)c1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3cnn(C)c3)cc2)cc1Cl.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3cnn(C)c3)cc2)cc1F
InChIInChI=1S/C22H22ClN3O2.C22H22FN3O2.2C21H21ClN4O2/c2*1-4-22(28)26(3)20-10-9-18(12-19(20)23)16-5-7-17(8-6-16)21(27)11-15-13-24-25(2)14-15;1-4-21(28)26(3)16-6-7-17(18(22)12-16)19-8-5-14(13-23-19)20(27)11-15-9-10-25(2)24-15;1-4-21(28)26(3)16-6-7-17(18(22)12-16)14-5-8-19(23-13-14)20(27)11-15-9-10-25(2)24-15/h2*5-10,12-14H,4,11H2,1-3H3;2*5-10,12-13H,4,11H2,1-3H3
InChIKeySUWYUEZLUHHVTG-UHFFFAOYSA-N
MW1569.08 g/mol
LogP16.43
Rot. Bonds24

About N-[2-chloro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide

N-[2-chloro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide (PubChem CID 167667264) has the molecular formula C86H86Cl3FN14O8 and a molecular weight of 1569.08 g/mol. Its IUPAC name is N-[2-chloro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-chloro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide
PubChem CID167667264
Molecular FormulaC86H86Cl3FN14O8
Molecular Weight1569.08 g/mol
Exact Mass1566.58
IUPAC NameN-[2-chloro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn(C)n3)cn2)c(Cl)c1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn(C)n3)nc2)c(Cl)c1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3cnn(C)c3)cc2)cc1Cl.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3cnn(C)c3)cc2)cc1F
InChIInChI=1S/C22H22ClN3O2.C22H22FN3O2.2C21H21ClN4O2/c2*1-4-22(28)26(3)20-10-9-18(12-19(20)23)16-5-7-17(8-6-16)21(27)11-15-13-24-25(2)14-15;1-4-21(28)26(3)16-6-7-17(18(22)12-16)19-8-5-14(13-23-19)20(27)11-15-9-10-25(2)24-15;1-4-21(28)26(3)16-6-7-17(18(22)12-16)14-5-8-19(23-13-14)20(27)11-15-9-10-25(2)24-15/h2*5-10,12-14H,4,11H2,1-3H3;2*5-10,12-13H,4,11H2,1-3H3
InChIKeySUWYUEZLUHHVTG-UHFFFAOYSA-N
XLogP16.43
TPSA246.58 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001569.08
LogP ≤ 516.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze N-[2-chloro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide with MolForge

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Related Compounds

4-[4-[2-Chloro-5-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide
CID 162029332
4-[4-[2-Chloro-3-[(4-methylphenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[2-fluoro-5-[(4-methylphenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-methylphenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide
CID 157072901
4-[4-[2-Chloro-5-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[(4-fluorophenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-4-[3-[(4-fluorophenyl)carbamoylamino]phenyl]pyrazol-3-yl]pyridine-2-carboxamide
CID 157473066
4-[4-[2-Chloro-5-fluoro-3-[(4-methylphenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[5-chloro-2-fluoro-3-[(4-methylphenyl)carbamoylamino]phenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide;4-[4-[3-[(4-chlorophenyl)carbamoylamino]-4-fluorophenyl]-1-ethylpyrazol-3-yl]pyridine-2-carboxamide
CID 157515658
1-benzyl-N-[(4-ethanimidoylphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide;5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3-methylpyrazole-4-carboxamide;5-chloro-N-[(4-ethanimidoylphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide;1-[(2-chlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]pyrazole-4-carboxamide;methane
CID 157712165
3-chloro-5-(1,5-dimethyl-4-propan-2-ylpyrazol-3-yl)pyridine;1-(4-chloro-3-fluorophenyl)-3-methyl-5-propan-2-ylpyrazole;3-(3-chlorophenyl)-1,5-dimethyl-4-propan-2-ylpyrazole;[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone;bis(1,5-dimethyl-3-(4-methylphenyl)-4-propan-2-ylpyrazole);1-(4-fluoro-3-methylphenyl)-3-methyl-5-propan-2-ylpyrazole;3-methyl-1-(3-methylphenyl)-5-propan-2-ylpyrazole;3-methyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole;N-methyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole-3-carboxamide;3-methyl-5-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine
CID 159163502
1-(3-Chloro-4-fluorophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3,5-dimethylphenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;methane
CID 159179178
2-[4-[2-chloro-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperazin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]anilino]phenyl]ethanone;1-[4-[methyl(propyl)amino]phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone
CID 159911785
[1-(2-Chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;[1-(3-chlorophenyl)-5-propylpyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone;[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;(3,5-diethyl-1-phenylpyrazol-4-yl)-(4-ethylpiperazin-1-yl)methanone
CID 160077993
(2R,4S)-1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-fluoropyrrolidine-2-carboxamide;1-[(2S,4R)-1-[2-(3-acetyl-5-pyridin-3-ylindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-2-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]ethanone
CID 160411523
1-(1-Benzyl-3,5-dimethylpyrazol-4-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-ethanimidoylphenyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-ethanimidoylphenyl)propan-1-one;3-(4-ethanimidoylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)propan-1-one
CID 161399025
N-[2-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-methyl-N-[2-methyl-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]propanamide
CID 167546210

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide?
The IUPAC name of N-[2-chloro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide (CID 167667264) is N-[2-chloro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[2-chloro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide?
The canonical SMILES for N-[2-chloro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn(C)n3)cn2)c(Cl)c1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn(C)n3)nc2)c(Cl)c1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3cnn(C)c3)cc2)cc1Cl.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3cnn(C)c3)cc2)cc1F.
What is the InChIKey of N-[2-chloro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide?
The InChIKey is SUWYUEZLUHHVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2.C22H22FN3O2.2C21H21ClN4O2/c2*1-4-22(28)26(3)20-10-9-18(12-19(20)23)16-5-7-17(8-6-16)21(27)11-15-13-24-25(2)14-15;1-4-21(28)26(3)16-6-7-17(18(22)12-16)19-8-5-14(13-23-19)20(27)11-15-9-10-25(2)24-15;1-4-21(28)26(3)16-6-7-17(18(22)12-16)14-5-8-19(23-13-14)20(27)11-15-9-10-25(2)24-15/h2*5-10,12-14H,4,11H2,1-3H3;2*5-10,12-13H,4,11H2,1-3H3.
What are the key properties of N-[2-chloro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide?
N-[2-chloro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide has a molecular weight of 1569.08 g/mol, XLogP of 16.43, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167667264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).