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

C17H16N4O2 — CID 90204242

IUPAC2-[5-[4-(dimethylamino)phenyl]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCN(C)c1ccc(-c2ccnn2-c2cc(C(=O)O)ccn2)cc1
InChIInChI=1S/C17H16N4O2/c1-20(2)14-5-3-12(4-6-14)15-8-10-19-21(15)16-11-13(17(22)23)7-9-18-16/h3-11H,1-2H3,(H,22,23)
InChIKeyFRSFPMMQGXIOOY-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.70
Rot. Bonds4

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

2-[5-[4-(dimethylamino)phenyl]pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 90204242) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[5-[4-(dimethylamino)phenyl]pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-[4-(dimethylamino)phenyl]pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID90204242
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-[5-[4-(dimethylamino)phenyl]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCN(C)c1ccc(-c2ccnn2-c2cc(C(=O)O)ccn2)cc1
InChIInChI=1S/C17H16N4O2/c1-20(2)14-5-3-12(4-6-14)15-8-10-19-21(15)16-11-13(17(22)23)7-9-18-16/h3-11H,1-2H3,(H,22,23)
InChIKeyFRSFPMMQGXIOOY-UHFFFAOYSA-N
XLogP2.70
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(dimethylamino)phenyl]pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-[4-(dimethylamino)phenyl]pyrazol-1-yl]pyridine-4-carboxylic acid (CID 90204242) is 2-[5-[4-(dimethylamino)phenyl]pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-[4-(dimethylamino)phenyl]pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-[4-(dimethylamino)phenyl]pyrazol-1-yl]pyridine-4-carboxylic acid is CN(C)c1ccc(-c2ccnn2-c2cc(C(=O)O)ccn2)cc1.
What is the InChIKey of 2-[5-[4-(dimethylamino)phenyl]pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is FRSFPMMQGXIOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-20(2)14-5-3-12(4-6-14)15-8-10-19-21(15)16-11-13(17(22)23)7-9-18-16/h3-11H,1-2H3,(H,22,23).
What are the key properties of 2-[5-[4-(dimethylamino)phenyl]pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-[4-(dimethylamino)phenyl]pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 308.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(dimethylamino)phenyl]pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90204242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).