2-[5-(3,4-difluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid

C98H78F4N18O13 — CID 159268529

IUPAC2-[5-(3,4-difluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCc1cc(F)ccc1-c1ccnn1-c1cc(C(=O)O)ccn1.Cc1ccc(-c2c(C)cnn2-c2cc(C(=O)O)ccn2)cc1.Cc1cccc(-c2c(C)cnn2-c2cc(C(=O)O)ccn2)c1.Cc1cnn(-c2cc(C(=O)O)ccn2)c1-c1ccc(F)c(F)c1.Cc1cnn(-c2cc(C(=O)O)ccn2)c1-c1cccc(F)c1.Cc1cnn(-c2cc(C(=O)O)ccn2)c1-c1cccc(O)c1
InChIInChI=1S/2C17H15N3O2.C16H11F2N3O2.2C16H12FN3O2.C16H13N3O3/c1-11-3-5-13(6-4-11)16-12(2)10-19-20(16)15-9-14(17(21)22)7-8-18-15;1-11-4-3-5-13(8-11)16-12(2)10-19-20(16)15-9-14(17(21)22)6-7-18-15;1-9-8-20-21(14-7-11(16(22)23)4-5-19-14)15(9)10-2-3-12(17)13(18)6-10;1-10-8-12(17)2-3-13(10)14-5-7-19-20(14)15-9-11(16(21)22)4-6-18-15;1-10-9-19-20(14-8-12(16(21)22)5-6-18-14)15(10)11-3-2-4-13(17)7-11;1-10-9-18-19(14-8-12(16(21)22)5-6-17-14)15(10)11-3-2-4-13(20)7-11/h2*3-10H,1-2H3,(H,21,22);2-8H,1H3,(H,22,23);2*2-9H,1H3,(H,21,22);2-9,20H,1H3,(H,21,22)
InChIKeyKXKGFIXUACOYDF-UHFFFAOYSA-N
MW1791.81 g/mol
LogP18.52
Rot. Bonds18

About 2-[5-(3,4-difluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid

2-[5-(3,4-difluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 159268529) has the molecular formula C98H78F4N18O13 and a molecular weight of 1791.81 g/mol. Its IUPAC name is 2-[5-(3,4-difluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(3,4-difluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID159268529
Molecular FormulaC98H78F4N18O13
Molecular Weight1791.81 g/mol
Exact Mass1790.59
IUPAC Name2-[5-(3,4-difluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCc1cc(F)ccc1-c1ccnn1-c1cc(C(=O)O)ccn1.Cc1ccc(-c2c(C)cnn2-c2cc(C(=O)O)ccn2)cc1.Cc1cccc(-c2c(C)cnn2-c2cc(C(=O)O)ccn2)c1.Cc1cnn(-c2cc(C(=O)O)ccn2)c1-c1ccc(F)c(F)c1.Cc1cnn(-c2cc(C(=O)O)ccn2)c1-c1cccc(F)c1.Cc1cnn(-c2cc(C(=O)O)ccn2)c1-c1cccc(O)c1
InChIInChI=1S/2C17H15N3O2.C16H11F2N3O2.2C16H12FN3O2.C16H13N3O3/c1-11-3-5-13(6-4-11)16-12(2)10-19-20(16)15-9-14(17(21)22)7-8-18-15;1-11-4-3-5-13(8-11)16-12(2)10-19-20(16)15-9-14(17(21)22)6-7-18-15;1-9-8-20-21(14-7-11(16(22)23)4-5-19-14)15(9)10-2-3-12(17)13(18)6-10;1-10-8-12(17)2-3-13(10)14-5-7-19-20(14)15-9-11(16(21)22)4-6-18-15;1-10-9-19-20(14-8-12(16(21)22)5-6-18-14)15(10)11-3-2-4-13(17)7-11;1-10-9-18-19(14-8-12(16(21)22)5-6-17-14)15(10)11-3-2-4-13(20)7-11/h2*3-10H,1-2H3,(H,21,22);2-8H,1H3,(H,22,23);2*2-9H,1H3,(H,21,22);2-9,20H,1H3,(H,21,22)
InChIKeyKXKGFIXUACOYDF-UHFFFAOYSA-N
XLogP18.52
TPSA428.29 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001791.81
LogP ≤ 518.52
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Analyze 2-[5-(3,4-difluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid with MolForge

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Related Compounds

1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-7,7-difluoro-5,6-dihydroindazol-4-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-ethyl-3-pyridinyl)-2-pyridinyl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;ethyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylate
CID 157571637
1-[6-[2-[(2-cyclohexyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[6-[2-[(2-cyclopentyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[6-[5-methyl-2-[[2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[6-[5-methyl-2-[[2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 159168385
1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-7,7-difluoro-5,6-dihydroindazol-4-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(4-ethylphenyl)-2-pyridinyl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one
CID 160248659
5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2,6-dimethylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2,6-dimethylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2-methylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(6-hydroxy-3H-inden-1-yl)-4-[4-(2-methylphenyl)pyrimidin-2-yl]-5-phenylpentan-2-one;4-[4-(2-methylphenyl)pyrimidin-2-yl]-5-phenyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
CID 160276615
1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-7,7-difluoro-5,6-dihydroindazol-4-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-ethyl-3-pyridinyl)-2-pyridinyl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one
CID 160894778
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-(4-chloro-3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylic acid;methyl 2-[5-(3H-isoindol-5-yl)pyrazol-1-yl]pyridine-4-carboxylate;2-(4-methyl-5-phenylpyrazol-1-yl)pyridine-4-carboxylic acid
CID 159207013
2-[[4-Amino-3-[2-(aminomethyl)-4-fluorophenyl]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one;2-[[4-amino-3-[2-(aminomethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one;2-[[4-amino-3-[3-(aminomethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one;2-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one
CID 159333518
Methyl 2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;pentakis(methyl 2-[5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate);methyl 2-(5-phenylmethoxypyrazol-1-yl)pyridine-4-carboxylate
CID 159639654
2-[5-(2,3-dihydro-1-benzofuran-7-ylmethoxy)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;bis(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-[2-(4-fluorophenyl)ethyl]-4-methylphenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 159753137
2-[5-[(3-Fluoro-3-methylcyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;methyl 2-[5-[(4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(2-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(4-fluoro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;2-[4-methyl-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[1-(4-methylphenyl)ethoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 159812403
2-(3-Benzylpyrazol-1-yl)pyridine-4-carboxylic acid;2-(5-benzylpyrazol-1-yl)pyridine-4-carboxylic acid;2-(4,5-dimethylpyrazol-1-yl)pyridine-4-carboxylic acid;2-[3-ethyl-4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[3-(2-phenylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(2-phenylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid
CID 160551221

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-difluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-(3,4-difluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid (CID 159268529) is 2-[5-(3,4-difluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-(3,4-difluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-(3,4-difluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid is Cc1cc(F)ccc1-c1ccnn1-c1cc(C(=O)O)ccn1.Cc1ccc(-c2c(C)cnn2-c2cc(C(=O)O)ccn2)cc1.Cc1cccc(-c2c(C)cnn2-c2cc(C(=O)O)ccn2)c1.Cc1cnn(-c2cc(C(=O)O)ccn2)c1-c1ccc(F)c(F)c1.Cc1cnn(-c2cc(C(=O)O)ccn2)c1-c1cccc(F)c1.Cc1cnn(-c2cc(C(=O)O)ccn2)c1-c1cccc(O)c1.
What is the InChIKey of 2-[5-(3,4-difluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is KXKGFIXUACOYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H15N3O2.C16H11F2N3O2.2C16H12FN3O2.C16H13N3O3/c1-11-3-5-13(6-4-11)16-12(2)10-19-20(16)15-9-14(17(21)22)7-8-18-15;1-11-4-3-5-13(8-11)16-12(2)10-19-20(16)15-9-14(17(21)22)6-7-18-15;1-9-8-20-21(14-7-11(16(22)23)4-5-19-14)15(9)10-2-3-12(17)13(18)6-10;1-10-8-12(17)2-3-13(10)14-5-7-19-20(14)15-9-11(16(21)22)4-6-18-15;1-10-9-19-20(14-8-12(16(21)22)5-6-18-14)15(10)11-3-2-4-13(17)7-11;1-10-9-18-19(14-8-12(16(21)22)5-6-17-14)15(10)11-3-2-4-13(20)7-11/h2*3-10H,1-2H3,(H,21,22);2-8H,1H3,(H,22,23);2*2-9H,1H3,(H,21,22);2-9,20H,1H3,(H,21,22).
What are the key properties of 2-[5-(3,4-difluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-(3,4-difluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 1791.81 g/mol, XLogP of 18.52, 18 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-difluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-fluoro-2-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-fluorophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(3-hydroxyphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 159268529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).