2-amino-5-(4-bromopyrazol-1-yl)phenol

C9H8BrN3O — CID 178025198

IUPAC2-amino-5-(4-bromopyrazol-1-yl)phenol
SMILESNc1ccc(-n2cc(Br)cn2)cc1O
InChIInChI=1S/C9H8BrN3O/c10-6-4-12-13(5-6)7-1-2-8(11)9(14)3-7/h1-5,14H,11H2
InChIKeyQHJNFGORHBTQHI-UHFFFAOYSA-N
MW254.09 g/mol
LogP1.92
Rot. Bonds1

About 2-amino-5-(4-bromopyrazol-1-yl)phenol

2-amino-5-(4-bromopyrazol-1-yl)phenol (PubChem CID 178025198) has the molecular formula C9H8BrN3O and a molecular weight of 254.09 g/mol. Its IUPAC name is 2-amino-5-(4-bromopyrazol-1-yl)phenol.

Molecular Properties

Compound Name2-amino-5-(4-bromopyrazol-1-yl)phenol
PubChem CID178025198
Molecular FormulaC9H8BrN3O
Molecular Weight254.09 g/mol
Exact Mass252.99
IUPAC Name2-amino-5-(4-bromopyrazol-1-yl)phenol
SMILESNc1ccc(-n2cc(Br)cn2)cc1O
InChIInChI=1S/C9H8BrN3O/c10-6-4-12-13(5-6)7-1-2-8(11)9(14)3-7/h1-5,14H,11H2
InChIKeyQHJNFGORHBTQHI-UHFFFAOYSA-N
XLogP1.92
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-(4-bromopyrazol-1-yl)benzoic acid
CID 61035552
ethyl 2-amino-5-(4-bromopyrazol-1-yl)benzoate
CID 61312078
4-bromo-1-(4-bromophenyl)pyrazole
CID 15940041
4-bromo-1-(3,4-difluorophenyl)pyrazole
CID 66521494
4-(4-bromopyrazol-1-yl)benzenecarbothioamide
CID 61034766
2-amino-4-(4-methylpyrazol-1-yl)phenol
CID 84662036
4-(4-bromopyrazol-1-yl)-2-chlorobenzenecarboximidamide
CID 62948544
4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)benzamide
CID 54910433
2-amino-2-[4-(4-bromopyrazol-1-yl)phenyl]acetic acid
CID 117476951
5-(4-bromopyrazol-1-yl)pyridine-2-carbothioamide
CID 115488780
2-[4-(4-bromopyrazol-1-yl)phenyl]ethanol
CID 117420978
2-[4-(4-bromopyrazol-1-yl)phenyl]ethanamine
CID 63816251

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-bromopyrazol-1-yl)phenol?
The IUPAC name of 2-amino-5-(4-bromopyrazol-1-yl)phenol (CID 178025198) is 2-amino-5-(4-bromopyrazol-1-yl)phenol.
What is the SMILES notation for 2-amino-5-(4-bromopyrazol-1-yl)phenol?
The canonical SMILES for 2-amino-5-(4-bromopyrazol-1-yl)phenol is Nc1ccc(-n2cc(Br)cn2)cc1O.
What is the InChIKey of 2-amino-5-(4-bromopyrazol-1-yl)phenol?
The InChIKey is QHJNFGORHBTQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O/c10-6-4-12-13(5-6)7-1-2-8(11)9(14)3-7/h1-5,14H,11H2.
What are the key properties of 2-amino-5-(4-bromopyrazol-1-yl)phenol?
2-amino-5-(4-bromopyrazol-1-yl)phenol has a molecular weight of 254.09 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-bromopyrazol-1-yl)phenol is sourced from PubChem (CID 178025198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).