2-(4-fluorophenyl)-4-phenyldiazenyl-5-(1,2,3-trihydroxypropyl)-1H-pyrazol-3-one

C18H17FN4O4 — CID 3362203

IUPAC2-(4-fluorophenyl)-4-phenyldiazenyl-5-(1,2,3-trihydroxypropyl)-1H-pyrazol-3-one
SMILESO=c1c(/N=N/c2ccccc2)c(C(O)C(O)CO)[nH]n1-c1ccc(F)cc1
InChIInChI=1S/C18H17FN4O4/c19-11-6-8-13(9-7-11)23-18(27)16(15(22-23)17(26)14(25)10-24)21-20-12-4-2-1-3-5-12/h1-9,14,17,22,24-26H,10H2/b21-20+
InChIKeyRIKQJCHWRPVLBB-QZQOTICOSA-N
MW372.36 g/mol
LogP2.11
Rot. Bonds6

About 2-(4-fluorophenyl)-4-phenyldiazenyl-5-(1,2,3-trihydroxypropyl)-1H-pyrazol-3-one

2-(4-fluorophenyl)-4-phenyldiazenyl-5-(1,2,3-trihydroxypropyl)-1H-pyrazol-3-one (PubChem CID 3362203) has the molecular formula C18H17FN4O4 and a molecular weight of 372.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-phenyldiazenyl-5-(1,2,3-trihydroxypropyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-phenyldiazenyl-5-(1,2,3-trihydroxypropyl)-1H-pyrazol-3-one
PubChem CID3362203
Molecular FormulaC18H17FN4O4
Molecular Weight372.36 g/mol
Exact Mass372.12
IUPAC Name2-(4-fluorophenyl)-4-phenyldiazenyl-5-(1,2,3-trihydroxypropyl)-1H-pyrazol-3-one
SMILESO=c1c(/N=N/c2ccccc2)c(C(O)C(O)CO)[nH]n1-c1ccc(F)cc1
InChIInChI=1S/C18H17FN4O4/c19-11-6-8-13(9-7-11)23-18(27)16(15(22-23)17(26)14(25)10-24)21-20-12-4-2-1-3-5-12/h1-9,14,17,22,24-26H,10H2/b21-20+
InChIKeyRIKQJCHWRPVLBB-QZQOTICOSA-N
XLogP2.11
TPSA123.20 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

5-amino-4-[(4-fluorophenyl)diazenyl]-2-phenyl-1H-pyrazol-3-one
CID 1494865
4-(3-oxo-4-phenyldiazenyl-5-propan-2-yl-1H-pyrazol-2-yl)benzenesulfonic acid
CID 155629686
[2,3-diacetyloxy-3-(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)propyl] acetate
CID 3841169
2,5-diphenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one
CID 3109349
4-[(4-hydroxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 811786
4-[(4-ethylphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 135604011
5-[(4-bromophenyl)-sulfanylmethyl]-4-[(4-methylphenyl)diazenyl]-2-phenyl-1H-pyrazol-3-one
CID 135853892
2-(4-nitrophenyl)-5-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one
CID 3109396
3-oxo-2-phenyl-4-[(4-sulfanylphenyl)diazenyl]-1H-pyrazole-5-carbonitrile
CID 136618754
4-[(4-methylphenyl)diazenyl]-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 3345502
4-methoxy-N-[(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)methylideneamino]benzamide
CID 3807082
4-[(4-chlorophenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one
CID 3109320

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-phenyldiazenyl-5-(1,2,3-trihydroxypropyl)-1H-pyrazol-3-one?
The IUPAC name of 2-(4-fluorophenyl)-4-phenyldiazenyl-5-(1,2,3-trihydroxypropyl)-1H-pyrazol-3-one (CID 3362203) is 2-(4-fluorophenyl)-4-phenyldiazenyl-5-(1,2,3-trihydroxypropyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-4-phenyldiazenyl-5-(1,2,3-trihydroxypropyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-4-phenyldiazenyl-5-(1,2,3-trihydroxypropyl)-1H-pyrazol-3-one is O=c1c(/N=N/c2ccccc2)c(C(O)C(O)CO)[nH]n1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-phenyldiazenyl-5-(1,2,3-trihydroxypropyl)-1H-pyrazol-3-one?
The InChIKey is RIKQJCHWRPVLBB-QZQOTICOSA-N. The full InChI is InChI=1S/C18H17FN4O4/c19-11-6-8-13(9-7-11)23-18(27)16(15(22-23)17(26)14(25)10-24)21-20-12-4-2-1-3-5-12/h1-9,14,17,22,24-26H,10H2/b21-20+.
What are the key properties of 2-(4-fluorophenyl)-4-phenyldiazenyl-5-(1,2,3-trihydroxypropyl)-1H-pyrazol-3-one?
2-(4-fluorophenyl)-4-phenyldiazenyl-5-(1,2,3-trihydroxypropyl)-1H-pyrazol-3-one has a molecular weight of 372.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-phenyldiazenyl-5-(1,2,3-trihydroxypropyl)-1H-pyrazol-3-one is sourced from PubChem (CID 3362203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).