4-[5-amino-4-[2-(3-fluorophenyl)hydrazinyl]pyrazol-1-yl]benzoic acid

C16H14FN5O2 — CID 91249390

IUPAC4-[5-amino-4-[2-(3-fluorophenyl)hydrazinyl]pyrazol-1-yl]benzoic acid
SMILESNc1c(NNc2cccc(F)c2)cnn1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C16H14FN5O2/c17-11-2-1-3-12(8-11)20-21-14-9-19-22(15(14)18)13-6-4-10(5-7-13)16(23)24/h1-9,20-21H,18H2,(H,23,24)
InChIKeyCZUGWKHSRRKGGE-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.73
Rot. Bonds5

About 4-[5-amino-4-[2-(3-fluorophenyl)hydrazinyl]pyrazol-1-yl]benzoic acid

4-[5-amino-4-[2-(3-fluorophenyl)hydrazinyl]pyrazol-1-yl]benzoic acid (PubChem CID 91249390) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is 4-[5-amino-4-[2-(3-fluorophenyl)hydrazinyl]pyrazol-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-amino-4-[2-(3-fluorophenyl)hydrazinyl]pyrazol-1-yl]benzoic acid
PubChem CID91249390
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC Name4-[5-amino-4-[2-(3-fluorophenyl)hydrazinyl]pyrazol-1-yl]benzoic acid
SMILESNc1c(NNc2cccc(F)c2)cnn1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C16H14FN5O2/c17-11-2-1-3-12(8-11)20-21-14-9-19-22(15(14)18)13-6-4-10(5-7-13)16(23)24/h1-9,20-21H,18H2,(H,23,24)
InChIKeyCZUGWKHSRRKGGE-UHFFFAOYSA-N
XLogP2.73
TPSA105.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(3-fluoroanilino)-1-methylpyrazole-5-carboxylic acid
CID 12985697
4-(5-amino-4-cyanopyrazol-1-yl)benzoic acid
CID 2451195
4-[[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193335
1-[2-(3-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502590
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(3-aminophenyl)methanone
CID 22262810
1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18228961
N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-fluorobenzamide
CID 21105216
N-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide
CID 110295195
3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoic acid
CID 91433209
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzoic acid
CID 154791909
N-(3-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 24685793
3-[(3-fluorophenyl)carbamoylamino]-4-methylbenzoic acid
CID 6467536

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-4-[2-(3-fluorophenyl)hydrazinyl]pyrazol-1-yl]benzoic acid?
The IUPAC name of 4-[5-amino-4-[2-(3-fluorophenyl)hydrazinyl]pyrazol-1-yl]benzoic acid (CID 91249390) is 4-[5-amino-4-[2-(3-fluorophenyl)hydrazinyl]pyrazol-1-yl]benzoic acid.
What is the SMILES notation for 4-[5-amino-4-[2-(3-fluorophenyl)hydrazinyl]pyrazol-1-yl]benzoic acid?
The canonical SMILES for 4-[5-amino-4-[2-(3-fluorophenyl)hydrazinyl]pyrazol-1-yl]benzoic acid is Nc1c(NNc2cccc(F)c2)cnn1-c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[5-amino-4-[2-(3-fluorophenyl)hydrazinyl]pyrazol-1-yl]benzoic acid?
The InChIKey is CZUGWKHSRRKGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2/c17-11-2-1-3-12(8-11)20-21-14-9-19-22(15(14)18)13-6-4-10(5-7-13)16(23)24/h1-9,20-21H,18H2,(H,23,24).
What are the key properties of 4-[5-amino-4-[2-(3-fluorophenyl)hydrazinyl]pyrazol-1-yl]benzoic acid?
4-[5-amino-4-[2-(3-fluorophenyl)hydrazinyl]pyrazol-1-yl]benzoic acid has a molecular weight of 327.32 g/mol, XLogP of 2.73, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-4-[2-(3-fluorophenyl)hydrazinyl]pyrazol-1-yl]benzoic acid is sourced from PubChem (CID 91249390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).