4-[4-[(E)-[(2-fluoro-4-methylphenyl)hydrazinylidene]methyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzoic acid

C24H19FN4O3 — CID 137255312

IUPAC4-[4-[(E)-[(2-fluoro-4-methylphenyl)hydrazinylidene]methyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzoic acid
SMILESCc1ccc(N/N=C/c2cn(-c3ccc(C(=O)O)cc3)nc2-c2ccc(O)cc2)c(F)c1
InChIInChI=1S/C24H19FN4O3/c1-15-2-11-22(21(25)12-15)27-26-13-18-14-29(19-7-3-17(4-8-19)24(31)32)28-23(18)16-5-9-20(30)10-6-16/h2-14,27,30H,1H3,(H,31,32)/b26-13+
InChIKeyYINPXRLGSRJOKF-LGJNPRDNSA-N
MW430.44 g/mol
LogP4.84
Rot. Bonds6

About 4-[4-[(E)-[(2-fluoro-4-methylphenyl)hydrazinylidene]methyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzoic acid

4-[4-[(E)-[(2-fluoro-4-methylphenyl)hydrazinylidene]methyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzoic acid (PubChem CID 137255312) has the molecular formula C24H19FN4O3 and a molecular weight of 430.44 g/mol. Its IUPAC name is 4-[4-[(E)-[(2-fluoro-4-methylphenyl)hydrazinylidene]methyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[4-[(E)-[(2-fluoro-4-methylphenyl)hydrazinylidene]methyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzoic acid
PubChem CID137255312
Molecular FormulaC24H19FN4O3
Molecular Weight430.44 g/mol
Exact Mass430.14
IUPAC Name4-[4-[(E)-[(2-fluoro-4-methylphenyl)hydrazinylidene]methyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzoic acid
SMILESCc1ccc(N/N=C/c2cn(-c3ccc(C(=O)O)cc3)nc2-c2ccc(O)cc2)c(F)c1
InChIInChI=1S/C24H19FN4O3/c1-15-2-11-22(21(25)12-15)27-26-13-18-14-29(19-7-3-17(4-8-19)24(31)32)28-23(18)16-5-9-20(30)10-6-16/h2-14,27,30H,1H3,(H,31,32)/b26-13+
InChIKeyYINPXRLGSRJOKF-LGJNPRDNSA-N
XLogP4.84
TPSA99.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(4-carboxyphenyl)-4-[(E)-[(2-fluoro-4-methylphenyl)hydrazinylidene]methyl]pyrazol-3-yl]benzoic acid;bis(4-[1-(4-carboxyphenyl)-4-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]pyrazol-3-yl]benzoic acid);4-[1-(4-carboxyphenyl)-4-[(E)-[(2,3,6-trifluoro-5-methylphenyl)hydrazinylidene]methyl]pyrazol-3-yl]benzoic acid
CID 172964153
4-[3-(4-boronophenyl)-4-[(E)-[(2-chloro-4-methylphenyl)hydrazinylidene]methyl]pyrazol-1-yl]benzoic acid
CID 172960515
4-[3-(4-boronophenyl)-4-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]pyrazol-1-yl]benzoic acid
CID 172942409
N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 9073073
4-[3-(4-boronophenyl)-4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]pyrazol-1-yl]benzoic acid
CID 172960514
4-[1-(4-carboxyphenyl)-4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]pyrazol-3-yl]benzoic acid
CID 164517437
methyl N-[(Z)-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]carbamate
CID 9075377
4-chloro-N-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 6872953
N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-hydroxybenzamide
CID 6906212
4-[4-cyano-3-(4-methylphenyl)pyrazol-1-yl]benzoic acid
CID 58003616
4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 6024301
4-[3-(3-fluorophenyl)-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]pyrazol-1-yl]benzoic acid
CID 171349842

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(E)-[(2-fluoro-4-methylphenyl)hydrazinylidene]methyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzoic acid?
The IUPAC name of 4-[4-[(E)-[(2-fluoro-4-methylphenyl)hydrazinylidene]methyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzoic acid (CID 137255312) is 4-[4-[(E)-[(2-fluoro-4-methylphenyl)hydrazinylidene]methyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzoic acid.
What is the SMILES notation for 4-[4-[(E)-[(2-fluoro-4-methylphenyl)hydrazinylidene]methyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzoic acid?
The canonical SMILES for 4-[4-[(E)-[(2-fluoro-4-methylphenyl)hydrazinylidene]methyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzoic acid is Cc1ccc(N/N=C/c2cn(-c3ccc(C(=O)O)cc3)nc2-c2ccc(O)cc2)c(F)c1.
What is the InChIKey of 4-[4-[(E)-[(2-fluoro-4-methylphenyl)hydrazinylidene]methyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzoic acid?
The InChIKey is YINPXRLGSRJOKF-LGJNPRDNSA-N. The full InChI is InChI=1S/C24H19FN4O3/c1-15-2-11-22(21(25)12-15)27-26-13-18-14-29(19-7-3-17(4-8-19)24(31)32)28-23(18)16-5-9-20(30)10-6-16/h2-14,27,30H,1H3,(H,31,32)/b26-13+.
What are the key properties of 4-[4-[(E)-[(2-fluoro-4-methylphenyl)hydrazinylidene]methyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzoic acid?
4-[4-[(E)-[(2-fluoro-4-methylphenyl)hydrazinylidene]methyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzoic acid has a molecular weight of 430.44 g/mol, XLogP of 4.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-[(2-fluoro-4-methylphenyl)hydrazinylidene]methyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzoic acid is sourced from PubChem (CID 137255312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).