3-amino-4-[(3-methoxyphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one

C16H15N5O2 — CID 135431486

IUPAC3-amino-4-[(3-methoxyphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one
SMILESCOc1cccc(/N=N/c2c(N)n(-c3ccccc3)[nH]c2=O)c1
InChIInChI=1S/C16H15N5O2/c1-23-13-9-5-6-11(10-13)18-19-14-15(17)21(20-16(14)22)12-7-3-2-4-8-12/h2-10H,17H2,1H3,(H,20,22)/b19-18+
InChIKeyJVELLLRARVTPTA-VHEBQXMUSA-N
MW309.33 g/mol
LogP3.17
Rot. Bonds4

About 3-amino-4-[(3-methoxyphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one

3-amino-4-[(3-methoxyphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one (PubChem CID 135431486) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 3-amino-4-[(3-methoxyphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-amino-4-[(3-methoxyphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one
PubChem CID135431486
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name3-amino-4-[(3-methoxyphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one
SMILESCOc1cccc(/N=N/c2c(N)n(-c3ccccc3)[nH]c2=O)c1
InChIInChI=1S/C16H15N5O2/c1-23-13-9-5-6-11(10-13)18-19-14-15(17)21(20-16(14)22)12-7-3-2-4-8-12/h2-10H,17H2,1H3,(H,20,22)/b19-18+
InChIKeyJVELLLRARVTPTA-VHEBQXMUSA-N
XLogP3.17
TPSA97.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3-amino-4-[(4-methylphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one
CID 135490301
4-[(3-chlorophenyl)diazenyl]-3-hydroxy-2-phenyl-1H-pyrazol-5-one
CID 137184042
3-[[5-(4-methoxyphenyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]diazenyl]benzoic acid
CID 135645862
4-[(3-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 1494746
2-(3-methoxyphenyl)-3-phenyl-1H-1,2,4-triazol-5-one
CID 54063244
(3-methoxyphenyl)-naphthalen-2-yldiazene
CID 581663
sodium N-(3-methoxyphenyl)iminosulfamate
CID 23715155
4-[(3-methoxyphenyl)diazenyl]-5-(4-nitrophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
CID 3884254
4-[(3-methoxyphenyl)diazenyl]-5-methyl-3-phenylpyrazole-1-carbothioamide
CID 3971376
4-methoxy-N-[(3-oxo-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-yl)methylideneamino]benzamide
CID 3807082
trimethyl-[3-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenyl]azanium
CID 135800784
4-[(3-methoxyphenyl)diazenyl]-2H-benzotriazol-5-amine
CID 58747520

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(3-methoxyphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one?
The IUPAC name of 3-amino-4-[(3-methoxyphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one (CID 135431486) is 3-amino-4-[(3-methoxyphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one.
What is the SMILES notation for 3-amino-4-[(3-methoxyphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one?
The canonical SMILES for 3-amino-4-[(3-methoxyphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one is COc1cccc(/N=N/c2c(N)n(-c3ccccc3)[nH]c2=O)c1.
What is the InChIKey of 3-amino-4-[(3-methoxyphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one?
The InChIKey is JVELLLRARVTPTA-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-23-13-9-5-6-11(10-13)18-19-14-15(17)21(20-16(14)22)12-7-3-2-4-8-12/h2-10H,17H2,1H3,(H,20,22)/b19-18+.
What are the key properties of 3-amino-4-[(3-methoxyphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one?
3-amino-4-[(3-methoxyphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one has a molecular weight of 309.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(3-methoxyphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one is sourced from PubChem (CID 135431486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).