3-(4-bromopyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide

C12H12BrN3O2 — CID 19561636

IUPAC3-(4-bromopyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
SMILESO=C(CCn1cc(Br)cn1)Nc1ccccc1O
InChIInChI=1S/C12H12BrN3O2/c13-9-7-14-16(8-9)6-5-12(18)15-10-3-1-2-4-11(10)17/h1-4,7-8,17H,5-6H2,(H,15,18)
InChIKeyZAWLBZOMJJFIIE-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.38
Rot. Bonds4

About 3-(4-bromopyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide

3-(4-bromopyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide (PubChem CID 19561636) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
PubChem CID19561636
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name3-(4-bromopyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
SMILESO=C(CCn1cc(Br)cn1)Nc1ccccc1O
InChIInChI=1S/C12H12BrN3O2/c13-9-7-14-16(8-9)6-5-12(18)15-10-3-1-2-4-11(10)17/h1-4,7-8,17H,5-6H2,(H,15,18)
InChIKeyZAWLBZOMJJFIIE-UHFFFAOYSA-N
XLogP2.38
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromopyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide
CID 19561665
N-(4-amino-2-methoxyphenyl)-3-(4-bromopyrazol-1-yl)propanamide
CID 61034761
3-(4-bromopyrazol-1-yl)-N-[4-(diethylamino)phenyl]propanamide
CID 19561643
3-(4-bromopyrazol-1-yl)-N-(4-methyl-2-pyridinyl)propanamide
CID 1231856
3-(4-bromopyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19395555
3-(4-bromopyrazol-1-yl)-N-(4-methylpyrimidin-2-yl)propanamide
CID 35322095
3-(4-bromopyrazol-1-yl)-N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19561835
N-(3-amino-4-chlorophenyl)-3-(4-bromopyrazol-1-yl)propanamide
CID 54909881
3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 19561765
N-(4-amino-2-chlorophenyl)-4-(4-bromopyrazol-1-yl)butanamide
CID 61035006
4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19561846
4-[3-(4-bromopyrazol-1-yl)propanoylamino]butanoyl chloride
CID 19561719

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide (CID 19561636) is 3-(4-bromopyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide is O=C(CCn1cc(Br)cn1)Nc1ccccc1O.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide?
The InChIKey is ZAWLBZOMJJFIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c13-9-7-14-16(8-9)6-5-12(18)15-10-3-1-2-4-11(10)17/h1-4,7-8,17H,5-6H2,(H,15,18).
What are the key properties of 3-(4-bromopyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide?
3-(4-bromopyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide has a molecular weight of 310.15 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide is sourced from PubChem (CID 19561636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).