5-[(2-hydroxynaphthalen-1-yl)diazenyl]-1H-pyrazole-4-carboxylic acid

C14H10N4O3 — CID 3082296

IUPAC5-[(2-hydroxynaphthalen-1-yl)diazenyl]-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1/N=N/c1c(O)ccc2ccccc12
InChIInChI=1S/C14H10N4O3/c19-11-6-5-8-3-1-2-4-9(8)12(11)16-18-13-10(14(20)21)7-15-17-13/h1-7,19H,(H,15,17)(H,20,21)/b18-16+
InChIKeyMSCHUEVNZQZXJY-FBMGVBCBSA-N
MW282.26 g/mol
LogP3.38
Rot. Bonds3

About 5-[(2-hydroxynaphthalen-1-yl)diazenyl]-1H-pyrazole-4-carboxylic acid

5-[(2-hydroxynaphthalen-1-yl)diazenyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 3082296) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 5-[(2-hydroxynaphthalen-1-yl)diazenyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2-hydroxynaphthalen-1-yl)diazenyl]-1H-pyrazole-4-carboxylic acid
PubChem CID3082296
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Name5-[(2-hydroxynaphthalen-1-yl)diazenyl]-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1/N=N/c1c(O)ccc2ccccc12
InChIInChI=1S/C14H10N4O3/c19-11-6-5-8-3-1-2-4-9(8)12(11)16-18-13-10(14(20)21)7-15-17-13/h1-7,19H,(H,15,17)(H,20,21)/b18-16+
InChIKeyMSCHUEVNZQZXJY-FBMGVBCBSA-N
XLogP3.38
TPSA110.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

1-(2H-pyrazolo[3,4-b]pyridin-3-yldiazenyl)naphthalen-2-ol
CID 135697160
ethane;1-phenyldiazenylnaphthalen-2-ol
CID 136657953
1-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]naphthalen-2-ol
CID 135418326
1-phenyldiazenylnaphthalene-2-carbaldehyde;1-phenyldiazenylnaphthalen-2-ol
CID 159712546
1-[(5-methyl-1H-1,2,4-triazol-3-yl)diazenyl]naphthalen-2-ol
CID 135588648
1-[(2,3,5,6-tetramethyl-4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol
CID 135977813
ethane;1-[[4-[5-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]diazenyl]naphthalen-2-ol;N-phenylacetamide
CID 136613437
1-[(2-phenoxynaphthalen-1-yl)diazenyl]naphthalen-2-ol
CID 135514019
CID 170843851
CID 170843851
1-[(5-benzyl-1,3-thiazol-2-yl)diazenyl]naphthalen-2-ol
CID 137185564
2-hydroxynaphthalene-1,8-dicarboxylic acid
CID 19938987
1-(cyclopropyldiazenyl)naphthalen-2-ol
CID 135693137

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxynaphthalen-1-yl)diazenyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[(2-hydroxynaphthalen-1-yl)diazenyl]-1H-pyrazole-4-carboxylic acid (CID 3082296) is 5-[(2-hydroxynaphthalen-1-yl)diazenyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2-hydroxynaphthalen-1-yl)diazenyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(2-hydroxynaphthalen-1-yl)diazenyl]-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1/N=N/c1c(O)ccc2ccccc12.
What is the InChIKey of 5-[(2-hydroxynaphthalen-1-yl)diazenyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is MSCHUEVNZQZXJY-FBMGVBCBSA-N. The full InChI is InChI=1S/C14H10N4O3/c19-11-6-5-8-3-1-2-4-9(8)12(11)16-18-13-10(14(20)21)7-15-17-13/h1-7,19H,(H,15,17)(H,20,21)/b18-16+.
What are the key properties of 5-[(2-hydroxynaphthalen-1-yl)diazenyl]-1H-pyrazole-4-carboxylic acid?
5-[(2-hydroxynaphthalen-1-yl)diazenyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 3.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxynaphthalen-1-yl)diazenyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 3082296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).