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

C18H17N3O3 — CID 90205291

IUPAC2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1
InChIInChI=1S/C18H17N3O3/c1-2-13-3-5-14(6-4-13)12-24-17-8-10-20-21(17)16-11-15(18(22)23)7-9-19-16/h3-11H,2,12H2,1H3,(H,22,23)
InChIKeyMKBWAOCGFREQKS-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.11
Rot. Bonds6

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

2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 90205291) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID90205291
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1
InChIInChI=1S/C18H17N3O3/c1-2-13-3-5-14(6-4-13)12-24-17-8-10-20-21(17)16-11-15(18(22)23)7-9-19-16/h3-11H,2,12H2,1H3,(H,22,23)
InChIKeyMKBWAOCGFREQKS-UHFFFAOYSA-N
XLogP3.11
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (CID 90205291) is 2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is CCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1.
What is the InChIKey of 2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is MKBWAOCGFREQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-2-13-3-5-14(6-4-13)12-24-17-8-10-20-21(17)16-11-15(18(22)23)7-9-19-16/h3-11H,2,12H2,1H3,(H,22,23).
What are the key properties of 2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 323.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90205291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).