5-(4-propan-2-yloxyphenyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylic acid

C22H24N2O3 — CID 127047007

IUPAC5-(4-propan-2-yloxyphenyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylic acid
SMILESCC(C)Oc1ccc(-c2cc(C(=O)O)nn2-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C22H24N2O3/c1-14(2)16-5-9-18(10-6-16)24-21(13-20(23-24)22(25)26)17-7-11-19(12-8-17)27-15(3)4/h5-15H,1-4H3,(H,25,26)
InChIKeyDMCZSKBVBDIGON-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.15
Rot. Bonds6

About 5-(4-propan-2-yloxyphenyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylic acid

5-(4-propan-2-yloxyphenyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylic acid (PubChem CID 127047007) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-(4-propan-2-yloxyphenyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-propan-2-yloxyphenyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylic acid
PubChem CID127047007
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name5-(4-propan-2-yloxyphenyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylic acid
SMILESCC(C)Oc1ccc(-c2cc(C(=O)O)nn2-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C22H24N2O3/c1-14(2)16-5-9-18(10-6-16)24-21(13-20(23-24)22(25)26)17-7-11-19(12-8-17)27-15(3)4/h5-15H,1-4H3,(H,25,26)
InChIKeyDMCZSKBVBDIGON-UHFFFAOYSA-N
XLogP5.15
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-yloxyphenyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-(4-propan-2-yloxyphenyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylic acid (CID 127047007) is 5-(4-propan-2-yloxyphenyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-propan-2-yloxyphenyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(4-propan-2-yloxyphenyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylic acid is CC(C)Oc1ccc(-c2cc(C(=O)O)nn2-c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 5-(4-propan-2-yloxyphenyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylic acid?
The InChIKey is DMCZSKBVBDIGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-14(2)16-5-9-18(10-6-16)24-21(13-20(23-24)22(25)26)17-7-11-19(12-8-17)27-15(3)4/h5-15H,1-4H3,(H,25,26).
What are the key properties of 5-(4-propan-2-yloxyphenyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylic acid?
5-(4-propan-2-yloxyphenyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylic acid has a molecular weight of 364.45 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-yloxyphenyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 127047007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).