3-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)diazenyl]naphthalene-2-carboxylic acid

C17H16N4O3 — CID 3108214

IUPAC3-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)diazenyl]naphthalene-2-carboxylic acid
SMILESCc1nn(C)c(C)c1/N=N/c1c(O)c(C(=O)O)cc2ccccc12
InChIInChI=1S/C17H16N4O3/c1-9-14(10(2)21(3)20-9)18-19-15-12-7-5-4-6-11(12)8-13(16(15)22)17(23)24/h4-8,22H,1-3H3,(H,23,24)/b19-18+
InChIKeyZQJYXQKNBMLWLS-VHEBQXMUSA-N
MW324.34 g/mol
LogP4.01
Rot. Bonds3

About 3-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)diazenyl]naphthalene-2-carboxylic acid

3-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)diazenyl]naphthalene-2-carboxylic acid (PubChem CID 3108214) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)diazenyl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)diazenyl]naphthalene-2-carboxylic acid
PubChem CID3108214
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name3-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)diazenyl]naphthalene-2-carboxylic acid
SMILESCc1nn(C)c(C)c1/N=N/c1c(O)c(C(=O)O)cc2ccccc12
InChIInChI=1S/C17H16N4O3/c1-9-14(10(2)21(3)20-9)18-19-15-12-7-5-4-6-11(12)8-13(16(15)22)17(23)24/h4-8,22H,1-3H3,(H,23,24)/b19-18+
InChIKeyZQJYXQKNBMLWLS-VHEBQXMUSA-N
XLogP4.01
TPSA100.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 54.01
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

4-[(2-chloro-6-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 3018314
4-hydroxy-3-methylnaphthalene-2-carboxylic acid
CID 58932971
disodium;hydride;3-hydroxy-4-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid
CID 173040518
4-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]phthalic acid
CID 135783962
calcium;4-[(5-chloro-4-methyl-2-sulfophenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid;hydride
CID 173363896
4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 136706044
4-[(6,8-disulfonaphthalen-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 136855518
calcium;3-hydroxy-4-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid;4-[(4-methyl-2-sulfophenyl)diazenyl]-3-oxidonaphthalene-2-carboxylate
CID 136864822
4-[[4,6-bis[bis(pyridin-2-ylmethyl)amino]-1,3,5-triazin-2-yl]diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 153167556
dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid
CID 161380259
4-ethyl-3-hydroxynaphthalene-2-carboxylic acid
CID 141486602
3,4-dimethylnaphthalene-2-carboxylic acid
CID 163849681

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)diazenyl]naphthalene-2-carboxylic acid?
The IUPAC name of 3-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)diazenyl]naphthalene-2-carboxylic acid (CID 3108214) is 3-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)diazenyl]naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)diazenyl]naphthalene-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)diazenyl]naphthalene-2-carboxylic acid is Cc1nn(C)c(C)c1/N=N/c1c(O)c(C(=O)O)cc2ccccc12.
What is the InChIKey of 3-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)diazenyl]naphthalene-2-carboxylic acid?
The InChIKey is ZQJYXQKNBMLWLS-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-9-14(10(2)21(3)20-9)18-19-15-12-7-5-4-6-11(12)8-13(16(15)22)17(23)24/h4-8,22H,1-3H3,(H,23,24)/b19-18+.
What are the key properties of 3-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)diazenyl]naphthalene-2-carboxylic acid?
3-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)diazenyl]naphthalene-2-carboxylic acid has a molecular weight of 324.34 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)diazenyl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 3108214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).