3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol

C₉H₈ClN₃O — CID 154491984

About 3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol

3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol (PubChem CID 154491984) has the molecular formula C₉H₈ClN₃O and a molecular weight of 209.64 g/mol. Its IUPAC name is 3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol.

Molecular Properties

• Compound Name: 3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol
• PubChem CID: 154491984
• Molecular Formula: C₉H₈ClN₃O
• Molecular Weight: 209.64 g/mol
• Exact Mass: 209.04
• IUPAC Name: 3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol
• SMILES: Nc1cn[nH]c1-c1cc(O)cc(Cl)c1
• InChI: InChI=1S/C9H8ClN3O/c10-6-1-5(2-7(14)3-6)9-8(11)4-12-13-9/h1-4,14H,11H2,(H,12,13)
• InChIKey: NVPNZABKBOVBDH-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 74.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	209.64
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol?

The IUPAC name of 3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol (CID 154491984) is 3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol.

What is the SMILES notation for 3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol?

The canonical SMILES for 3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol is Nc1cn[nH]c1-c1cc(O)cc(Cl)c1.

What is the InChIKey of 3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol?

The InChIKey is NVPNZABKBOVBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c10-6-1-5(2-7(14)3-6)9-8(11)4-12-13-9/h1-4,14H,11H2,(H,12,13).

What are the key properties of 3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol?

3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol has a molecular weight of 209.64 g/mol, XLogP of 2.02, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol is sourced from PubChem (CID 154491984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154491984 — identifiers, structure, computed properties (public domain)

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