4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol

C23H24Cl3N5O3 — CID 158612608

About 4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol

4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol (PubChem CID 158612608) has the molecular formula C23H24Cl3N5O3 and a molecular weight of 524.84 g/mol. Its IUPAC name is 4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol.

Molecular Properties

• Compound Name: 4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol
• PubChem CID: 158612608
• Molecular Formula: C23H24Cl3N5O3
• Molecular Weight: 524.84 g/mol
• Exact Mass: 523.09
• IUPAC Name: 4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol
• SMILES: Cc1cc(C)n(-c2ccc(O)c(Cl)c2)n1.NNc1ccc(O)c(Cl)c1.Nc1ccc(O)c(Cl)c1
• InChI: InChI=1S/C11H11ClN2O.C6H7ClN2O.C6H6ClNO/c1-7-5-8(2)14(13-7)9-3-4-11(15)10(12)6-9;7-5-3-4(9-8)1-2-6(5)10;7-5-3-4(8)1-2-6(5)9/h3-6,15H,1-2H3;1-3,9-10H,8H2;1-3,9H,8H2
• InChIKey: HXADLBGRIUSMEE-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 142.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	524.84
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol?

The IUPAC name of 4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol (CID 158612608) is 4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol.

What is the SMILES notation for 4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol?

The canonical SMILES for 4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol is Cc1cc(C)n(-c2ccc(O)c(Cl)c2)n1.NNc1ccc(O)c(Cl)c1.Nc1ccc(O)c(Cl)c1.

What is the InChIKey of 4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol?

The InChIKey is HXADLBGRIUSMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O.C6H7ClN2O.C6H6ClNO/c1-7-5-8(2)14(13-7)9-3-4-11(15)10(12)6-9;7-5-3-4(9-8)1-2-6(5)10;7-5-3-4(8)1-2-6(5)9/h3-6,15H,1-2H3;1-3,9-10H,8H2;1-3,9H,8H2.

What are the key properties of 4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol?

4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol has a molecular weight of 524.84 g/mol, XLogP of 5.81, 2 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol is sourced from PubChem (CID 158612608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).