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

C19H16N4O3 — CID 90205651

IUPAC2-[5-[(4-cyano-2-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCCc1cc(C#N)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1
InChIInChI=1S/C19H16N4O3/c1-2-14-9-13(11-20)3-4-16(14)12-26-18-6-8-22-23(18)17-10-15(19(24)25)5-7-21-17/h3-10H,2,12H2,1H3,(H,24,25)
InChIKeyLFHDOSKLOQHEPU-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.98
Rot. Bonds6

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

2-[5-[(4-cyano-2-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 90205651) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-[5-[(4-cyano-2-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-[(4-cyano-2-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID90205651
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name2-[5-[(4-cyano-2-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCCc1cc(C#N)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1
InChIInChI=1S/C19H16N4O3/c1-2-14-9-13(11-20)3-4-16(14)12-26-18-6-8-22-23(18)17-10-15(19(24)25)5-7-21-17/h3-10H,2,12H2,1H3,(H,24,25)
InChIKeyLFHDOSKLOQHEPU-UHFFFAOYSA-N
XLogP2.98
TPSA101.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-cyano-2-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-[(4-cyano-2-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (CID 90205651) is 2-[5-[(4-cyano-2-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-[(4-cyano-2-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-[(4-cyano-2-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is CCc1cc(C#N)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[5-[(4-cyano-2-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is LFHDOSKLOQHEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-2-14-9-13(11-20)3-4-16(14)12-26-18-6-8-22-23(18)17-10-15(19(24)25)5-7-21-17/h3-10H,2,12H2,1H3,(H,24,25).
What are the key properties of 2-[5-[(4-cyano-2-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-[(4-cyano-2-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 348.36 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-cyano-2-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90205651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).