2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid

C17H15N3O2 — CID 90205021

IUPAC2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCc1ccc(-c2cc(C)nn2-c2cc(C(=O)O)ccn2)cc1
InChIInChI=1S/C17H15N3O2/c1-11-3-5-13(6-4-11)15-9-12(2)19-20(15)16-10-14(17(21)22)7-8-18-16/h3-10H,1-2H3,(H,21,22)
InChIKeyMKZLVNIZKIFRHO-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.25
Rot. Bonds3

About 2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid

2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 90205021) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID90205021
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCc1ccc(-c2cc(C)nn2-c2cc(C(=O)O)ccn2)cc1
InChIInChI=1S/C17H15N3O2/c1-11-3-5-13(6-4-11)15-9-12(2)19-20(15)16-10-14(17(21)22)7-8-18-16/h3-10H,1-2H3,(H,21,22)
InChIKeyMKZLVNIZKIFRHO-UHFFFAOYSA-N
XLogP3.25
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid (CID 90205021) is 2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid is Cc1ccc(-c2cc(C)nn2-c2cc(C(=O)O)ccn2)cc1.
What is the InChIKey of 2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is MKZLVNIZKIFRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-3-5-13(6-4-11)15-9-12(2)19-20(15)16-10-14(17(21)22)7-8-18-16/h3-10H,1-2H3,(H,21,22).
What are the key properties of 2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 293.33 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90205021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).