1-(4-methoxyphenyl)-3-(4-phenylphenyl)-5-propylpyrazole-4-carboxylic acid

C26H24N2O3 — CID 3844950

IUPAC1-(4-methoxyphenyl)-3-(4-phenylphenyl)-5-propylpyrazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)c(-c2ccc(-c3ccccc3)cc2)nn1-c1ccc(OC)cc1
InChIInChI=1S/C26H24N2O3/c1-3-7-23-24(26(29)30)25(27-28(23)21-14-16-22(31-2)17-15-21)20-12-10-19(11-13-20)18-8-5-4-6-9-18/h4-6,8-17H,3,7H2,1-2H3,(H,29,30)
InChIKeyYDOVIBPGVORMJH-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.87
Rot. Bonds7

About 1-(4-methoxyphenyl)-3-(4-phenylphenyl)-5-propylpyrazole-4-carboxylic acid

1-(4-methoxyphenyl)-3-(4-phenylphenyl)-5-propylpyrazole-4-carboxylic acid (PubChem CID 3844950) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(4-phenylphenyl)-5-propylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(4-phenylphenyl)-5-propylpyrazole-4-carboxylic acid
PubChem CID3844950
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name1-(4-methoxyphenyl)-3-(4-phenylphenyl)-5-propylpyrazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)c(-c2ccc(-c3ccccc3)cc2)nn1-c1ccc(OC)cc1
InChIInChI=1S/C26H24N2O3/c1-3-7-23-24(26(29)30)25(27-28(23)21-14-16-22(31-2)17-15-21)20-12-10-19(11-13-20)18-8-5-4-6-9-18/h4-6,8-17H,3,7H2,1-2H3,(H,29,30)
InChIKeyYDOVIBPGVORMJH-UHFFFAOYSA-N
XLogP5.87
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenyl)-1-(4-methoxyphenyl)-5-propylpyrazole-4-carboxylic acid
CID 3795495
3-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxylic acid
CID 3796959
5-chloro-1-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxylic acid
CID 82364034
1-(4-chlorophenyl)-3-(4-fluorophenyl)-5-propylpyrazole-4-carboxylic acid
CID 3796958
3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3849112
3-(3,4-dichlorophenyl)-1-(4-methylphenyl)-5-propylpyrazole-4-carboxylic acid
CID 3798978
1-(4-methoxyphenyl)-5-methyl-3-pyridin-4-ylpyrazole-4-carboxylic acid
CID 3608503
1-(4-tert-butylphenyl)-3-(3,4-dihydroxyphenyl)-5-propylpyrazole-4-carboxylic acid
CID 3379091
(4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 10884492
1-(4-chlorophenyl)-3-(3-nitrophenyl)-5-propylpyrazole-4-carboxylic acid
CID 3790283
4-ethyl-1-(4-methoxyphenyl)-3,5-diphenylpyrazole
CID 10808049
1,3-diphenyl-N-[(1S)-1-phenylpropyl]-5-propylpyrazole-4-carboxamide
CID 143069487

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(4-phenylphenyl)-5-propylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-methoxyphenyl)-3-(4-phenylphenyl)-5-propylpyrazole-4-carboxylic acid (CID 3844950) is 1-(4-methoxyphenyl)-3-(4-phenylphenyl)-5-propylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(4-phenylphenyl)-5-propylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(4-phenylphenyl)-5-propylpyrazole-4-carboxylic acid is CCCc1c(C(=O)O)c(-c2ccc(-c3ccccc3)cc2)nn1-c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(4-phenylphenyl)-5-propylpyrazole-4-carboxylic acid?
The InChIKey is YDOVIBPGVORMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-3-7-23-24(26(29)30)25(27-28(23)21-14-16-22(31-2)17-15-21)20-12-10-19(11-13-20)18-8-5-4-6-9-18/h4-6,8-17H,3,7H2,1-2H3,(H,29,30).
What are the key properties of 1-(4-methoxyphenyl)-3-(4-phenylphenyl)-5-propylpyrazole-4-carboxylic acid?
1-(4-methoxyphenyl)-3-(4-phenylphenyl)-5-propylpyrazole-4-carboxylic acid has a molecular weight of 412.49 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(4-phenylphenyl)-5-propylpyrazole-4-carboxylic acid is sourced from PubChem (CID 3844950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).