4-[3-(4-hydroxy-3-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-yl]benzoic acid

C20H19N3O3 — CID 141493689

IUPAC4-[3-(4-hydroxy-3-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(-c3ccc(O)c(N4CCCC4)c3)n[nH]2)cc1
InChIInChI=1S/C20H19N3O3/c24-19-8-7-15(11-18(19)23-9-1-2-10-23)17-12-16(21-22-17)13-3-5-14(6-4-13)20(25)26/h3-8,11-12,24H,1-2,9-10H2,(H,21,22)(H,25,26)
InChIKeyQHJFJTIUQFQKSO-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.75
Rot. Bonds4

About 4-[3-(4-hydroxy-3-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-yl]benzoic acid

4-[3-(4-hydroxy-3-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-yl]benzoic acid (PubChem CID 141493689) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-[3-(4-hydroxy-3-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-yl]benzoic acid.

Molecular Properties

Compound Name4-[3-(4-hydroxy-3-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-yl]benzoic acid
PubChem CID141493689
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name4-[3-(4-hydroxy-3-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(-c3ccc(O)c(N4CCCC4)c3)n[nH]2)cc1
InChIInChI=1S/C20H19N3O3/c24-19-8-7-15(11-18(19)23-9-1-2-10-23)17-12-16(21-22-17)13-3-5-14(6-4-13)20(25)26/h3-8,11-12,24H,1-2,9-10H2,(H,21,22)(H,25,26)
InChIKeyQHJFJTIUQFQKSO-UHFFFAOYSA-N
XLogP3.75
TPSA89.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diol
CID 136610688
3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]benzoic acid
CID 118577360
ethane;5-(4-pyrrolidin-1-ylphenyl)-3-[3-[5-(4-pyrrolidin-1-ylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
CID 144833651
4-[3-[3-(1-adamantyl)-4-ethoxyphenyl]-1H-pyrazol-5-yl]benzoic acid
CID 141493663
1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]ethanone
CID 155037922
4-(5-cyclopropyl-1H-pyrazol-3-yl)benzoic acid
CID 122430192
4-[3-(3-tert-butyl-4-propoxyphenyl)-1H-pyrazol-5-yl]benzoic acid
CID 141493691
4-hydroxy-3-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 135412754
2,4-di(piperidin-1-yl)phenol
CID 130450866
4-bromo-2-pyrrolidin-1-ylphenol
CID 84703170
3-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]benzoic acid
CID 141357487
4-chloro-3-pyrrolidin-1-ylbenzoic acid
CID 7148434

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydroxy-3-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-yl]benzoic acid?
The IUPAC name of 4-[3-(4-hydroxy-3-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-yl]benzoic acid (CID 141493689) is 4-[3-(4-hydroxy-3-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-yl]benzoic acid.
What is the SMILES notation for 4-[3-(4-hydroxy-3-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-yl]benzoic acid?
The canonical SMILES for 4-[3-(4-hydroxy-3-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-yl]benzoic acid is O=C(O)c1ccc(-c2cc(-c3ccc(O)c(N4CCCC4)c3)n[nH]2)cc1.
What is the InChIKey of 4-[3-(4-hydroxy-3-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-yl]benzoic acid?
The InChIKey is QHJFJTIUQFQKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-19-8-7-15(11-18(19)23-9-1-2-10-23)17-12-16(21-22-17)13-3-5-14(6-4-13)20(25)26/h3-8,11-12,24H,1-2,9-10H2,(H,21,22)(H,25,26).
What are the key properties of 4-[3-(4-hydroxy-3-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-yl]benzoic acid?
4-[3-(4-hydroxy-3-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-yl]benzoic acid has a molecular weight of 349.39 g/mol, XLogP of 3.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxy-3-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-yl]benzoic acid is sourced from PubChem (CID 141493689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).