5-methyl-1-[(2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid

C19H16N4O2 — CID 72950439

IUPAC5-methyl-1-[(2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1Cc1cccc2cc(-c3ccccc3)nn12
InChIInChI=1S/C19H16N4O2/c1-13-10-18(19(24)25)20-22(13)12-16-9-5-8-15-11-17(21-23(15)16)14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H,24,25)
InChIKeyYOVWTRMZGCXLRE-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.25
Rot. Bonds4

About 5-methyl-1-[(2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid

5-methyl-1-[(2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid (PubChem CID 72950439) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-methyl-1-[(2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[(2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid
PubChem CID72950439
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name5-methyl-1-[(2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1Cc1cccc2cc(-c3ccccc3)nn12
InChIInChI=1S/C19H16N4O2/c1-13-10-18(19(24)25)20-22(13)12-16-9-5-8-15-11-17(21-23(15)16)14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H,24,25)
InChIKeyYOVWTRMZGCXLRE-UHFFFAOYSA-N
XLogP3.25
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[(2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid (CID 72950439) is 5-methyl-1-[(2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[(2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[(2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid is Cc1cc(C(=O)O)nn1Cc1cccc2cc(-c3ccccc3)nn12.
What is the InChIKey of 5-methyl-1-[(2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid?
The InChIKey is YOVWTRMZGCXLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-13-10-18(19(24)25)20-22(13)12-16-9-5-8-15-11-17(21-23(15)16)14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H,24,25).
What are the key properties of 5-methyl-1-[(2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid?
5-methyl-1-[(2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 72950439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).