2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid

C19H19N3O3 — CID 90205194

IUPAC2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCCc1cc(C)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1
InChIInChI=1S/C19H19N3O3/c1-3-14-10-13(2)4-5-16(14)12-25-18-7-9-21-22(18)17-11-15(19(23)24)6-8-20-17/h4-11H,3,12H2,1-2H3,(H,23,24)
InChIKeyRPOONZXSYGAYQG-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.42
Rot. Bonds6

About 2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid

2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 90205194) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID90205194
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCCc1cc(C)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1
InChIInChI=1S/C19H19N3O3/c1-3-14-10-13(2)4-5-16(14)12-25-18-7-9-21-22(18)17-11-15(19(23)24)6-8-20-17/h4-11H,3,12H2,1-2H3,(H,23,24)
InChIKeyRPOONZXSYGAYQG-UHFFFAOYSA-N
XLogP3.42
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (CID 90205194) is 2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is CCc1cc(C)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is RPOONZXSYGAYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-14-10-13(2)4-5-16(14)12-25-18-7-9-21-22(18)17-11-15(19(23)24)6-8-20-17/h4-11H,3,12H2,1-2H3,(H,23,24).
What are the key properties of 2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 337.38 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-ethyl-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90205194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).