4-[3-(4-hydroxyphenyl)-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]pyrazol-1-yl]benzoic acid

C23H14F4N4O3 — CID 137250412

IUPAC4-[3-(4-hydroxyphenyl)-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]pyrazol-1-yl]benzoic acid
SMILESO=C(O)c1ccc(-n2cc(/C=N/Nc3c(F)c(F)cc(F)c3F)c(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C23H14F4N4O3/c24-17-9-18(25)20(27)22(19(17)26)29-28-10-14-11-31(15-5-1-13(2-6-15)23(33)34)30-21(14)12-3-7-16(32)8-4-12/h1-11,29,32H,(H,33,34)/b28-10+
InChIKeyICJHYBFRSYLPTO-ORBVJSQLSA-N
MW470.38 g/mol
LogP4.95
Rot. Bonds6

About 4-[3-(4-hydroxyphenyl)-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]pyrazol-1-yl]benzoic acid

4-[3-(4-hydroxyphenyl)-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]pyrazol-1-yl]benzoic acid (PubChem CID 137250412) has the molecular formula C23H14F4N4O3 and a molecular weight of 470.38 g/mol. Its IUPAC name is 4-[3-(4-hydroxyphenyl)-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]pyrazol-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[3-(4-hydroxyphenyl)-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]pyrazol-1-yl]benzoic acid
PubChem CID137250412
Molecular FormulaC23H14F4N4O3
Molecular Weight470.38 g/mol
Exact Mass470.10
IUPAC Name4-[3-(4-hydroxyphenyl)-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]pyrazol-1-yl]benzoic acid
SMILESO=C(O)c1ccc(-n2cc(/C=N/Nc3c(F)c(F)cc(F)c3F)c(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C23H14F4N4O3/c24-17-9-18(25)20(27)22(19(17)26)29-28-10-14-11-31(15-5-1-13(2-6-15)23(33)34)30-21(14)12-3-7-16(32)8-4-12/h1-11,29,32H,(H,33,34)/b28-10+
InChIKeyICJHYBFRSYLPTO-ORBVJSQLSA-N
XLogP4.95
TPSA99.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.38
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[3-(4-hydroxyphenyl)-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]pyrazol-1-yl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]benzoic acid
CID 2360654
4-({[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]carbonyl}amino)benzoic acid
CID 2360683
4-[4-(2-hydroxybenzoyl)-1H-pyrazol-1-yl]benzenecarboxylic acid
CID 1478023
4-{[(1,3-diphenyl-1H-pyrazol-4-yl)carbonyl]amino}benzoic acid
CID 1342784
4-({3-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]acryloyl}amino)benzoic acid
CID 2173003
4-({[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]carbonyl}amino)benzoic acid
CID 2360916
3-[(2E)-2-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]benzoic acid
CID 9607665
(E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 57392482
(Z)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(4-hydroxyanilino)prop-2-en-1-one
CID 127050793
4-[3-(2,4-difluorophenyl)-4-[(E)-(phenylhydrazinylidene)methyl]pyrazol-1-yl]benzoic acid
CID 145983037
4-[4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-3-(3,4-difluorophenyl)pyrazol-1-yl]benzoic acid
CID 145985788
4-[4-[[3-Fluoro-5-(trifluoromethyl)anilino]methyl]-3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzoic acid
CID 164617428

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydroxyphenyl)-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]pyrazol-1-yl]benzoic acid?
The IUPAC name of 4-[3-(4-hydroxyphenyl)-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]pyrazol-1-yl]benzoic acid (CID 137250412) is 4-[3-(4-hydroxyphenyl)-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]pyrazol-1-yl]benzoic acid.
What is the SMILES notation for 4-[3-(4-hydroxyphenyl)-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]pyrazol-1-yl]benzoic acid?
The canonical SMILES for 4-[3-(4-hydroxyphenyl)-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]pyrazol-1-yl]benzoic acid is O=C(O)c1ccc(-n2cc(/C=N/Nc3c(F)c(F)cc(F)c3F)c(-c3ccc(O)cc3)n2)cc1.
What is the InChIKey of 4-[3-(4-hydroxyphenyl)-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]pyrazol-1-yl]benzoic acid?
The InChIKey is ICJHYBFRSYLPTO-ORBVJSQLSA-N. The full InChI is InChI=1S/C23H14F4N4O3/c24-17-9-18(25)20(27)22(19(17)26)29-28-10-14-11-31(15-5-1-13(2-6-15)23(33)34)30-21(14)12-3-7-16(32)8-4-12/h1-11,29,32H,(H,33,34)/b28-10+.
What are the key properties of 4-[3-(4-hydroxyphenyl)-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]pyrazol-1-yl]benzoic acid?
4-[3-(4-hydroxyphenyl)-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]pyrazol-1-yl]benzoic acid has a molecular weight of 470.38 g/mol, XLogP of 4.95, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxyphenyl)-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]pyrazol-1-yl]benzoic acid is sourced from PubChem (CID 137250412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).