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

C17H15N3O2 — CID 90205336

IUPAC2-[5-(2-phenylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2nccc2CCc2ccccc2)c1
InChIInChI=1S/C17H15N3O2/c21-17(22)14-8-10-18-16(12-14)20-15(9-11-19-20)7-6-13-4-2-1-3-5-13/h1-5,8-12H,6-7H2,(H,21,22)
InChIKeyMVDDWOUDRGQZND-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.75
Rot. Bonds5

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

2-[5-(2-phenylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 90205336) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[5-(2-phenylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(2-phenylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID90205336
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-[5-(2-phenylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2nccc2CCc2ccccc2)c1
InChIInChI=1S/C17H15N3O2/c21-17(22)14-8-10-18-16(12-14)20-15(9-11-19-20)7-6-13-4-2-1-3-5-13/h1-5,8-12H,6-7H2,(H,21,22)
InChIKeyMVDDWOUDRGQZND-UHFFFAOYSA-N
XLogP2.75
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-phenylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-(2-phenylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid (CID 90205336) is 2-[5-(2-phenylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-(2-phenylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-(2-phenylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-n2nccc2CCc2ccccc2)c1.
What is the InChIKey of 2-[5-(2-phenylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is MVDDWOUDRGQZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-17(22)14-8-10-18-16(12-14)20-15(9-11-19-20)7-6-13-4-2-1-3-5-13/h1-5,8-12H,6-7H2,(H,21,22).
What are the key properties of 2-[5-(2-phenylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-(2-phenylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 293.33 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-phenylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90205336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).