4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3-fluorophenol

C9H7BrFN3O — CID 117432533

IUPAC4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3-fluorophenol
SMILESNc1[nH]ncc1-c1ccc(O)c(Br)c1F
InChIInChI=1S/C9H7BrFN3O/c10-7-6(15)2-1-4(8(7)11)5-3-13-14-9(5)12/h1-3,15H,(H3,12,13,14)
InChIKeyDVTANUQVTMDDBF-UHFFFAOYSA-N
MW272.08 g/mol
LogP2.27
Rot. Bonds1

About 4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3-fluorophenol

4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3-fluorophenol (PubChem CID 117432533) has the molecular formula C9H7BrFN3O and a molecular weight of 272.08 g/mol. Its IUPAC name is 4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3-fluorophenol.

Molecular Properties

Compound Name4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3-fluorophenol
PubChem CID117432533
Molecular FormulaC9H7BrFN3O
Molecular Weight272.08 g/mol
Exact Mass270.98
IUPAC Name4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3-fluorophenol
SMILESNc1[nH]ncc1-c1ccc(O)c(Br)c1F
InChIInChI=1S/C9H7BrFN3O/c10-7-6(15)2-1-4(8(7)11)5-3-13-14-9(5)12/h1-3,15H,(H3,12,13,14)
InChIKeyDVTANUQVTMDDBF-UHFFFAOYSA-N
XLogP2.27
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.08
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3-fluorophenol?
The IUPAC name of 4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3-fluorophenol (CID 117432533) is 4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3-fluorophenol.
What is the SMILES notation for 4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3-fluorophenol?
The canonical SMILES for 4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3-fluorophenol is Nc1[nH]ncc1-c1ccc(O)c(Br)c1F.
What is the InChIKey of 4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3-fluorophenol?
The InChIKey is DVTANUQVTMDDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN3O/c10-7-6(15)2-1-4(8(7)11)5-3-13-14-9(5)12/h1-3,15H,(H3,12,13,14).
What are the key properties of 4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3-fluorophenol?
4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3-fluorophenol has a molecular weight of 272.08 g/mol, XLogP of 2.27, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3-fluorophenol is sourced from PubChem (CID 117432533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).