1-(4-methylphenyl)-5-phenyl-3-pyridin-4-ylpyrazole-4-carboxylic acid

C22H17N3O2 — CID 3831748

IUPAC1-(4-methylphenyl)-5-phenyl-3-pyridin-4-ylpyrazole-4-carboxylic acid
SMILESCc1ccc(-n2nc(-c3ccncc3)c(C(=O)O)c2-c2ccccc2)cc1
InChIInChI=1S/C22H17N3O2/c1-15-7-9-18(10-8-15)25-21(17-5-3-2-4-6-17)19(22(26)27)20(24-25)16-11-13-23-14-12-16/h2-14H,1H3,(H,26,27)
InChIKeyXMTGXNOHFUVAAH-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.61
Rot. Bonds4

About 1-(4-methylphenyl)-5-phenyl-3-pyridin-4-ylpyrazole-4-carboxylic acid

1-(4-methylphenyl)-5-phenyl-3-pyridin-4-ylpyrazole-4-carboxylic acid (PubChem CID 3831748) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-phenyl-3-pyridin-4-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-phenyl-3-pyridin-4-ylpyrazole-4-carboxylic acid
PubChem CID3831748
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name1-(4-methylphenyl)-5-phenyl-3-pyridin-4-ylpyrazole-4-carboxylic acid
SMILESCc1ccc(-n2nc(-c3ccncc3)c(C(=O)O)c2-c2ccccc2)cc1
InChIInChI=1S/C22H17N3O2/c1-15-7-9-18(10-8-15)25-21(17-5-3-2-4-6-17)19(22(26)27)20(24-25)16-11-13-23-14-12-16/h2-14H,1H3,(H,26,27)
InChIKeyXMTGXNOHFUVAAH-UHFFFAOYSA-N
XLogP4.61
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-phenyl-3-pyridin-4-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-methylphenyl)-5-phenyl-3-pyridin-4-ylpyrazole-4-carboxylic acid (CID 3831748) is 1-(4-methylphenyl)-5-phenyl-3-pyridin-4-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-methylphenyl)-5-phenyl-3-pyridin-4-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-methylphenyl)-5-phenyl-3-pyridin-4-ylpyrazole-4-carboxylic acid is Cc1ccc(-n2nc(-c3ccncc3)c(C(=O)O)c2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-phenyl-3-pyridin-4-ylpyrazole-4-carboxylic acid?
The InChIKey is XMTGXNOHFUVAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-15-7-9-18(10-8-15)25-21(17-5-3-2-4-6-17)19(22(26)27)20(24-25)16-11-13-23-14-12-16/h2-14H,1H3,(H,26,27).
What are the key properties of 1-(4-methylphenyl)-5-phenyl-3-pyridin-4-ylpyrazole-4-carboxylic acid?
1-(4-methylphenyl)-5-phenyl-3-pyridin-4-ylpyrazole-4-carboxylic acid has a molecular weight of 355.40 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-phenyl-3-pyridin-4-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 3831748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).