2-[5-[(1S)-1-(4-chlorophenyl)-2-cyclopropylethoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-cyclopropylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-ethylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-cyclopropyl-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(cyclopropylmethyl)-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid

C113H98Cl4F2N18O18 — CID 159525034

IUPAC2-[5-[(1S)-1-(4-chlorophenyl)-2-cyclopropylethoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-cyclopropylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-ethylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-cyclopropyl-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(cyclopropylmethyl)-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCCc1cnn(-c2cc(C(=O)O)ccn2)c1OCc1ccc(Cl)cc1.Cc1cnn(-c2cc(C(=O)O)ccn2)c1OCc1ccc(Cl)cc1.O=C(O)c1ccnc(-n2ncc(C3CC3)c2OCc2ccc(Cl)cc2)c1.O=C(O)c1ccnc(-n2ncc(C3CC3)c2OCc2ccc(F)cc2)c1.O=C(O)c1ccnc(-n2ncc(CC3CC3)c2OCc2ccc(F)cc2)c1.O=C(O)c1ccnc(-n2nccc2O[C@@H](CC2CC2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H18ClN3O3.C20H18FN3O3.C19H16ClN3O3.C19H16FN3O3.C18H16ClN3O3.C17H14ClN3O3/c21-16-5-3-14(4-6-16)17(11-13-1-2-13)27-19-8-10-23-24(19)18-12-15(20(25)26)7-9-22-18;21-17-5-3-14(4-6-17)12-27-19-16(9-13-1-2-13)11-23-24(19)18-10-15(20(25)26)7-8-22-18;2*20-15-5-1-12(2-6-15)11-26-18-16(13-3-4-13)10-22-23(18)17-9-14(19(24)25)7-8-21-17;1-2-13-10-21-22(16-9-14(18(23)24)7-8-20-16)17(13)25-11-12-3-5-15(19)6-4-12;1-11-9-20-21(15-8-13(17(22)23)6-7-19-15)16(11)24-10-12-2-4-14(18)5-3-12/h3-10,12-13,17H,1-2,11H2,(H,25,26);3-8,10-11,13H,1-2,9,12H2,(H,25,26);2*1-2,5-10,13H,3-4,11H2,(H,24,25);3-10H,2,11H2,1H3,(H,23,24);2-9H,10H2,1H3,(H,22,23)/t17-;;;;;/m0...../s1
InChIKeyMCGYGTFQADEKFA-VCPBINOTSA-N
MW2175.94 g/mol
LogP23.08
Rot. Bonds37

About 2-[5-[(1S)-1-(4-chlorophenyl)-2-cyclopropylethoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-cyclopropylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-ethylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-cyclopropyl-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(cyclopropylmethyl)-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid

2-[5-[(1S)-1-(4-chlorophenyl)-2-cyclopropylethoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-cyclopropylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-ethylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-cyclopropyl-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(cyclopropylmethyl)-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 159525034) has the molecular formula C113H98Cl4F2N18O18 and a molecular weight of 2175.94 g/mol. Its IUPAC name is 2-[5-[(1S)-1-(4-chlorophenyl)-2-cyclopropylethoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-cyclopropylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-ethylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-cyclopropyl-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(cyclopropylmethyl)-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-[(1S)-1-(4-chlorophenyl)-2-cyclopropylethoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-cyclopropylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-ethylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-cyclopropyl-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(cyclopropylmethyl)-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID159525034
Molecular FormulaC113H98Cl4F2N18O18
Molecular Weight2175.94 g/mol
Exact Mass2172.60
IUPAC Name2-[5-[(1S)-1-(4-chlorophenyl)-2-cyclopropylethoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-cyclopropylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-ethylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-cyclopropyl-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(cyclopropylmethyl)-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCCc1cnn(-c2cc(C(=O)O)ccn2)c1OCc1ccc(Cl)cc1.Cc1cnn(-c2cc(C(=O)O)ccn2)c1OCc1ccc(Cl)cc1.O=C(O)c1ccnc(-n2ncc(C3CC3)c2OCc2ccc(Cl)cc2)c1.O=C(O)c1ccnc(-n2ncc(C3CC3)c2OCc2ccc(F)cc2)c1.O=C(O)c1ccnc(-n2ncc(CC3CC3)c2OCc2ccc(F)cc2)c1.O=C(O)c1ccnc(-n2nccc2O[C@@H](CC2CC2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H18ClN3O3.C20H18FN3O3.C19H16ClN3O3.C19H16FN3O3.C18H16ClN3O3.C17H14ClN3O3/c21-16-5-3-14(4-6-16)17(11-13-1-2-13)27-19-8-10-23-24(19)18-12-15(20(25)26)7-9-22-18;21-17-5-3-14(4-6-17)12-27-19-16(9-13-1-2-13)11-23-24(19)18-10-15(20(25)26)7-8-22-18;2*20-15-5-1-12(2-6-15)11-26-18-16(13-3-4-13)10-22-23(18)17-9-14(19(24)25)7-8-21-17;1-2-13-10-21-22(16-9-14(18(23)24)7-8-20-16)17(13)25-11-12-3-5-15(19)6-4-12;1-11-9-20-21(15-8-13(17(22)23)6-7-19-15)16(11)24-10-12-2-4-14(18)5-3-12/h3-10,12-13,17H,1-2,11H2,(H,25,26);3-8,10-11,13H,1-2,9,12H2,(H,25,26);2*1-2,5-10,13H,3-4,11H2,(H,24,25);3-10H,2,11H2,1H3,(H,23,24);2-9H,10H2,1H3,(H,22,23)/t17-;;;;;/m0...../s1
InChIKeyMCGYGTFQADEKFA-VCPBINOTSA-N
XLogP23.08
TPSA463.44 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds37
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002175.94
LogP ≤ 523.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze 2-[5-[(1S)-1-(4-chlorophenyl)-2-cyclopropylethoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-cyclopropylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-ethylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-cyclopropyl-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(cyclopropylmethyl)-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid with MolForge

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Related Compounds

tert-butyl 2-chloro-6-[3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2-chloro-6-[3-[(2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylate;2-chloro-6-[3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid
CID 160122129
2-[5-[[4-Chloro-2-(cyclopropylmethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-2-phenylmethoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-2-propoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;methyl 2-[5-[(3-chloro-4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(4-ethyl-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(2-fluoro-3,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate
CID 157078402
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
2-[5-[(2-Chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 157417084
2-[5-[(2-Chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-chloro-2-(1-phenylethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-cyano-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);2-[5-[(2-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 157572088
2-[5-[(2-Butoxy-4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[2-(cyclopropylmethoxy)-4-fluorophenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(2-ethoxy-4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);2-[5-[(4-fluoro-2-propoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 157611672
2-[5-[(3-Chloro-4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-ethyl-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-fluoro-3,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;methyl 2-[5-[(3,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;2-[5-[(3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 157845676
2-[5-[[4-Chloro-3-(cyclopropylmethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-3-ethoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-chloro-3-[(4-methylphenyl)methoxy]phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid);2-[5-[[4-fluoro-3-[(4-methylphenyl)methoxy]phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(1-phenylethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 158120979
2-[5-[(2-chloro-4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-chloro-4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-cyclopropyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-ethyl-2-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(2-[5-[(5-methyl-2,3-dihydro-1H-inden-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid);bis(2-[5-[(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]pyrazol-1-yl]pyridine-4-carboxylic acid)
CID 158433745
2-[5-[(4-Cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-4-methylcyclohexyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;methyl 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;bis(2-[5-[(3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid)
CID 158511692
2-[5-[(7-Chloro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[[4-fluoro-2-(2-methylpropoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 158928464
2-[5-[(1S)-1-(4-chlorophenyl)ethoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[2-(4-chlorophenyl)propan-2-yloxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(1R)-1-(4-chlorophenyl)propoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[2-(4-fluorophenyl)propan-2-yloxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(1R)-1-(4-fluorophenyl)propoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 159276736

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1S)-1-(4-chlorophenyl)-2-cyclopropylethoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-cyclopropylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-ethylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-cyclopropyl-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(cyclopropylmethyl)-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-[(1S)-1-(4-chlorophenyl)-2-cyclopropylethoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-cyclopropylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-ethylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-cyclopropyl-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(cyclopropylmethyl)-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (CID 159525034) is 2-[5-[(1S)-1-(4-chlorophenyl)-2-cyclopropylethoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-cyclopropylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-ethylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-cyclopropyl-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(cyclopropylmethyl)-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-[(1S)-1-(4-chlorophenyl)-2-cyclopropylethoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-cyclopropylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-ethylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-cyclopropyl-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(cyclopropylmethyl)-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-[(1S)-1-(4-chlorophenyl)-2-cyclopropylethoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-cyclopropylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-ethylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-cyclopropyl-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(cyclopropylmethyl)-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is CCc1cnn(-c2cc(C(=O)O)ccn2)c1OCc1ccc(Cl)cc1.Cc1cnn(-c2cc(C(=O)O)ccn2)c1OCc1ccc(Cl)cc1.O=C(O)c1ccnc(-n2ncc(C3CC3)c2OCc2ccc(Cl)cc2)c1.O=C(O)c1ccnc(-n2ncc(C3CC3)c2OCc2ccc(F)cc2)c1.O=C(O)c1ccnc(-n2ncc(CC3CC3)c2OCc2ccc(F)cc2)c1.O=C(O)c1ccnc(-n2nccc2O[C@@H](CC2CC2)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[5-[(1S)-1-(4-chlorophenyl)-2-cyclopropylethoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-cyclopropylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-ethylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-cyclopropyl-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(cyclopropylmethyl)-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is MCGYGTFQADEKFA-VCPBINOTSA-N. The full InChI is InChI=1S/C20H18ClN3O3.C20H18FN3O3.C19H16ClN3O3.C19H16FN3O3.C18H16ClN3O3.C17H14ClN3O3/c21-16-5-3-14(4-6-16)17(11-13-1-2-13)27-19-8-10-23-24(19)18-12-15(20(25)26)7-9-22-18;21-17-5-3-14(4-6-17)12-27-19-16(9-13-1-2-13)11-23-24(19)18-10-15(20(25)26)7-8-22-18;2*20-15-5-1-12(2-6-15)11-26-18-16(13-3-4-13)10-22-23(18)17-9-14(19(24)25)7-8-21-17;1-2-13-10-21-22(16-9-14(18(23)24)7-8-20-16)17(13)25-11-12-3-5-15(19)6-4-12;1-11-9-20-21(15-8-13(17(22)23)6-7-19-15)16(11)24-10-12-2-4-14(18)5-3-12/h3-10,12-13,17H,1-2,11H2,(H,25,26);3-8,10-11,13H,1-2,9,12H2,(H,25,26);2*1-2,5-10,13H,3-4,11H2,(H,24,25);3-10H,2,11H2,1H3,(H,23,24);2-9H,10H2,1H3,(H,22,23)/t17-;;;;;/m0...../s1.
What are the key properties of 2-[5-[(1S)-1-(4-chlorophenyl)-2-cyclopropylethoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-cyclopropylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-ethylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-cyclopropyl-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(cyclopropylmethyl)-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-[(1S)-1-(4-chlorophenyl)-2-cyclopropylethoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-cyclopropylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-ethylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-cyclopropyl-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(cyclopropylmethyl)-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 2175.94 g/mol, XLogP of 23.08, 37 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1S)-1-(4-chlorophenyl)-2-cyclopropylethoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-cyclopropylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-ethylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-cyclopropyl-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(cyclopropylmethyl)-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 159525034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).