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

C89H78Cl3F2N15O15 — CID 159276736

IUPAC2-[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
SMILESCC(C)(Oc1ccnn1-c1cc(C(=O)O)ccn1)c1ccc(Cl)cc1.CC(C)(Oc1ccnn1-c1cc(C(=O)O)ccn1)c1ccc(F)cc1.CC[C@@H](Oc1ccnn1-c1cc(C(=O)O)ccn1)c1ccc(Cl)cc1.CC[C@@H](Oc1ccnn1-c1cc(C(=O)O)ccn1)c1ccc(F)cc1.C[C@H](Oc1ccnn1-c1cc(C(=O)O)ccn1)c1ccc(Cl)cc1
InChIInChI=1S/2C18H16ClN3O3.2C18H16FN3O3.C17H14ClN3O3/c1-18(2,13-3-5-14(19)6-4-13)25-16-8-10-21-22(16)15-11-12(17(23)24)7-9-20-15;1-2-15(12-3-5-14(19)6-4-12)25-17-8-10-21-22(17)16-11-13(18(23)24)7-9-20-16;1-18(2,13-3-5-14(19)6-4-13)25-16-8-10-21-22(16)15-11-12(17(23)24)7-9-20-15;1-2-15(12-3-5-14(19)6-4-12)25-17-8-10-21-22(17)16-11-13(18(23)24)7-9-20-16;1-11(12-2-4-14(18)5-3-12)24-16-7-9-20-21(16)15-10-13(17(22)23)6-8-19-15/h3-11H,1-2H3,(H,23,24);3-11,15H,2H2,1H3,(H,23,24);3-11H,1-2H3,(H,23,24);3-11,15H,2H2,1H3,(H,23,24);2-11H,1H3,(H,22,23)/t;15-;;15-;11-/m.1.10/s1
InChIKeyKYKCIQDNZSLOSR-ZJLONPKSSA-N
MW1742.05 g/mol
LogP18.89
Rot. Bonds27

About 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

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 (PubChem CID 159276736) has the molecular formula C89H78Cl3F2N15O15 and a molecular weight of 1742.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID159276736
Molecular FormulaC89H78Cl3F2N15O15
Molecular Weight1742.05 g/mol
Exact Mass1739.48
IUPAC Name2-[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
SMILESCC(C)(Oc1ccnn1-c1cc(C(=O)O)ccn1)c1ccc(Cl)cc1.CC(C)(Oc1ccnn1-c1cc(C(=O)O)ccn1)c1ccc(F)cc1.CC[C@@H](Oc1ccnn1-c1cc(C(=O)O)ccn1)c1ccc(Cl)cc1.CC[C@@H](Oc1ccnn1-c1cc(C(=O)O)ccn1)c1ccc(F)cc1.C[C@H](Oc1ccnn1-c1cc(C(=O)O)ccn1)c1ccc(Cl)cc1
InChIInChI=1S/2C18H16ClN3O3.2C18H16FN3O3.C17H14ClN3O3/c1-18(2,13-3-5-14(19)6-4-13)25-16-8-10-21-22(16)15-11-12(17(23)24)7-9-20-15;1-2-15(12-3-5-14(19)6-4-12)25-17-8-10-21-22(17)16-11-13(18(23)24)7-9-20-16;1-18(2,13-3-5-14(19)6-4-13)25-16-8-10-21-22(16)15-11-12(17(23)24)7-9-20-15;1-2-15(12-3-5-14(19)6-4-12)25-17-8-10-21-22(17)16-11-13(18(23)24)7-9-20-16;1-11(12-2-4-14(18)5-3-12)24-16-7-9-20-21(16)15-10-13(17(22)23)6-8-19-15/h3-11H,1-2H3,(H,23,24);3-11,15H,2H2,1H3,(H,23,24);3-11H,1-2H3,(H,23,24);3-11,15H,2H2,1H3,(H,23,24);2-11H,1H3,(H,22,23)/t;15-;;15-;11-/m.1.10/s1
InChIKeyKYKCIQDNZSLOSR-ZJLONPKSSA-N
XLogP18.89
TPSA386.20 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds27
Heavy Atoms124
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001742.05
LogP ≤ 518.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(Oc1ccnn1-c1cc(C(=O)O)ccn1)c1ccc(Cl)cc1.CC(C)(Oc1ccnn1-c1cc(C(=O)O)ccn1)c1ccc(F)cc1.CC[C@@H](Oc1ccnn1-c1cc(C(=O)O)ccn1)c1ccc(Cl)cc1.CC[C@@H](Oc1ccnn1-c1cc(C(=O)O)ccn1)c1ccc(F)cc1.C[C@H](Oc1ccnn1-c1cc(C(=O)O)ccn1)c1ccc(Cl)cc1.
What is the InChIKey of 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?
The InChIKey is KYKCIQDNZSLOSR-ZJLONPKSSA-N. The full InChI is InChI=1S/2C18H16ClN3O3.2C18H16FN3O3.C17H14ClN3O3/c1-18(2,13-3-5-14(19)6-4-13)25-16-8-10-21-22(16)15-11-12(17(23)24)7-9-20-15;1-2-15(12-3-5-14(19)6-4-12)25-17-8-10-21-22(17)16-11-13(18(23)24)7-9-20-16;1-18(2,13-3-5-14(19)6-4-13)25-16-8-10-21-22(16)15-11-12(17(23)24)7-9-20-15;1-2-15(12-3-5-14(19)6-4-12)25-17-8-10-21-22(17)16-11-13(18(23)24)7-9-20-16;1-11(12-2-4-14(18)5-3-12)24-16-7-9-20-21(16)15-10-13(17(22)23)6-8-19-15/h3-11H,1-2H3,(H,23,24);3-11,15H,2H2,1H3,(H,23,24);3-11H,1-2H3,(H,23,24);3-11,15H,2H2,1H3,(H,23,24);2-11H,1H3,(H,22,23)/t;15-;;15-;11-/m.1.10/s1.
What are the key properties of 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?
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 has a molecular weight of 1742.05 g/mol, XLogP of 18.89, 27 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159276736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).