2-[5-[(4-chloro-2-ethoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(2-hydroxyethyl)-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;methane

C59H63ClN10O11 — CID 157313230

IUPAC2-[5-[(4-chloro-2-ethoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(2-hydroxyethyl)-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;methane
SMILESC.CCOc1cc(Cl)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1.Cc1ccc(COc2c(CCN(C)C)cnn2-c2cc(C(=O)O)ccn2)cc1.Cc1ccc(COc2c(CCO)cnn2-c2cc(C(=O)O)ccn2)cc1
InChIInChI=1S/C21H24N4O3.C19H19N3O4.C18H16ClN3O4.CH4/c1-15-4-6-16(7-5-15)14-28-20-18(9-11-24(2)3)13-23-25(20)19-12-17(21(26)27)8-10-22-19;1-13-2-4-14(5-3-13)12-26-18-16(7-9-23)11-21-22(18)17-10-15(19(24)25)6-8-20-17;1-2-25-15-10-14(19)4-3-13(15)11-26-17-6-8-21-22(17)16-9-12(18(23)24)5-7-20-16;/h4-8,10,12-13H,9,11,14H2,1-3H3,(H,26,27);2-6,8,10-11,23H,7,9,12H2,1H3,(H,24,25);3-10H,2,11H2,1H3,(H,23,24);1H4
InChIKeyBDGYTOFYVOAJMD-UHFFFAOYSA-N
MW1123.66 g/mol
LogP9.58
Rot. Bonds22

About 2-[5-[(4-chloro-2-ethoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(2-hydroxyethyl)-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;methane

2-[5-[(4-chloro-2-ethoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(2-hydroxyethyl)-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;methane (PubChem CID 157313230) has the molecular formula C59H63ClN10O11 and a molecular weight of 1123.66 g/mol. Its IUPAC name is 2-[5-[(4-chloro-2-ethoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(2-hydroxyethyl)-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;methane.

Molecular Properties

Compound Name2-[5-[(4-chloro-2-ethoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(2-hydroxyethyl)-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;methane
PubChem CID157313230
Molecular FormulaC59H63ClN10O11
Molecular Weight1123.66 g/mol
Exact Mass1122.44
IUPAC Name2-[5-[(4-chloro-2-ethoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(2-hydroxyethyl)-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;methane
SMILESC.CCOc1cc(Cl)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1.Cc1ccc(COc2c(CCN(C)C)cnn2-c2cc(C(=O)O)ccn2)cc1.Cc1ccc(COc2c(CCO)cnn2-c2cc(C(=O)O)ccn2)cc1
InChIInChI=1S/C21H24N4O3.C19H19N3O4.C18H16ClN3O4.CH4/c1-15-4-6-16(7-5-15)14-28-20-18(9-11-24(2)3)13-23-25(20)19-12-17(21(26)27)8-10-22-19;1-13-2-4-14(5-3-13)12-26-18-16(7-9-23)11-21-22(18)17-10-15(19(24)25)6-8-20-17;1-2-25-15-10-14(19)4-3-13(15)11-26-17-6-8-21-22(17)16-9-12(18(23)24)5-7-20-16;/h4-8,10,12-13H,9,11,14H2,1-3H3,(H,26,27);2-6,8,10-11,23H,7,9,12H2,1H3,(H,24,25);3-10H,2,11H2,1H3,(H,23,24);1H4
InChIKeyBDGYTOFYVOAJMD-UHFFFAOYSA-N
XLogP9.58
TPSA264.42 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001123.66
LogP ≤ 59.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 2-[5-[(4-chloro-2-ethoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(2-hydroxyethyl)-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;methane with MolForge

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Launch Full Analysis

Related Compounds

2-[5-[(4-Chloro-2-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90204662
2-[5-[[4-Chloro-2-(cyclopropylmethoxy(phenyl] methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90204966
2-[5-[(4-Chloro-2-ethoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205326
2-[5-[(4-Chloro-2-phenylmethoxyphenyl)methoxy] pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205426
2-[5-[[4-Chloro-2-(2-methoxyethoxy)phenyl]methoxy] pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205092
2-[5-[(4-Chloro-2-propan-2-yloxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205097
2-[5-[(2-Butan-2-yloxy-4-chlorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205209
2-[5-[[4-Chloro-2-(2,2,2-trifluoroethoxy)phenyl]methoxy] pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205315
2-[5-[[4-Chloro-2-(2-methylpropoxy)phenyl]methoxy] pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205429
2-[5-[[4-Chloro-2-[(4-fluorophenyl)methoxy]phenyl] methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205497
2-[5-[(2-Butoxy-4-chlorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205692
2-[5-[[4-Chloro-2-(1-phenylethoxy)phenyl]methoxy] pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90211067

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-chloro-2-ethoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(2-hydroxyethyl)-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;methane?
The IUPAC name of 2-[5-[(4-chloro-2-ethoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(2-hydroxyethyl)-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;methane (CID 157313230) is 2-[5-[(4-chloro-2-ethoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(2-hydroxyethyl)-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;methane.
What is the SMILES notation for 2-[5-[(4-chloro-2-ethoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(2-hydroxyethyl)-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;methane?
The canonical SMILES for 2-[5-[(4-chloro-2-ethoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(2-hydroxyethyl)-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;methane is C.CCOc1cc(Cl)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1.Cc1ccc(COc2c(CCN(C)C)cnn2-c2cc(C(=O)O)ccn2)cc1.Cc1ccc(COc2c(CCO)cnn2-c2cc(C(=O)O)ccn2)cc1.
What is the InChIKey of 2-[5-[(4-chloro-2-ethoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(2-hydroxyethyl)-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;methane?
The InChIKey is BDGYTOFYVOAJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3.C19H19N3O4.C18H16ClN3O4.CH4/c1-15-4-6-16(7-5-15)14-28-20-18(9-11-24(2)3)13-23-25(20)19-12-17(21(26)27)8-10-22-19;1-13-2-4-14(5-3-13)12-26-18-16(7-9-23)11-21-22(18)17-10-15(19(24)25)6-8-20-17;1-2-25-15-10-14(19)4-3-13(15)11-26-17-6-8-21-22(17)16-9-12(18(23)24)5-7-20-16;/h4-8,10,12-13H,9,11,14H2,1-3H3,(H,26,27);2-6,8,10-11,23H,7,9,12H2,1H3,(H,24,25);3-10H,2,11H2,1H3,(H,23,24);1H4.
What are the key properties of 2-[5-[(4-chloro-2-ethoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(2-hydroxyethyl)-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;methane?
2-[5-[(4-chloro-2-ethoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(2-hydroxyethyl)-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;methane has a molecular weight of 1123.66 g/mol, XLogP of 9.58, 22 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-chloro-2-ethoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-(2-hydroxyethyl)-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;methane is sourced from PubChem (CID 157313230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).