5-(2-bromophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine

C12H14BrN3O — CID 63047643

IUPAC5-(2-bromophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine
SMILESCOCCNc1cc(-c2ccccc2Br)[nH]n1
InChIInChI=1S/C12H14BrN3O/c1-17-7-6-14-12-8-11(15-16-12)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H2,14,15,16)
InChIKeyDOPKTIPUFYNYHV-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.90
Rot. Bonds5

About 5-(2-bromophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine

5-(2-bromophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine (PubChem CID 63047643) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 5-(2-bromophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-bromophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine
PubChem CID63047643
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name5-(2-bromophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine
SMILESCOCCNc1cc(-c2ccccc2Br)[nH]n1
InChIInChI=1S/C12H14BrN3O/c1-17-7-6-14-12-8-11(15-16-12)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H2,14,15,16)
InChIKeyDOPKTIPUFYNYHV-UHFFFAOYSA-N
XLogP2.90
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-fluorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine
CID 55146147
5-(4-bromo-2-chlorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine
CID 82781603
N-(2-methoxyethyl)-5-pyridin-2-yl-1H-pyrazol-3-amine
CID 63049884
N-(2-methoxyethyl)-5-thiophen-2-yl-1H-pyrazol-3-amine
CID 63049730
N-(2-methoxyethyl)-5-(4-propylphenyl)-1H-pyrazol-3-amine
CID 55145955
N-(2-methoxyethyl)-5-(4-propoxyphenyl)-1H-pyrazol-3-amine
CID 63050056
5-(2-chlorophenyl)-N-propyl-1H-pyrazol-3-amine
CID 63047967
2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112885809
N,N'-bis(5-phenyl-1H-pyrazol-3-yl)ethane-1,2-diamine;dihydrochloride
CID 162315025
2-N-(4-bromophenyl)-4-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine
CID 112934933
N-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 65181215
5-(2,5-dimethoxyphenyl)-N-propyl-1H-pyrazol-3-amine
CID 63047445

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-bromophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine (CID 63047643) is 5-(2-bromophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-bromophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-bromophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine is COCCNc1cc(-c2ccccc2Br)[nH]n1.
What is the InChIKey of 5-(2-bromophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine?
The InChIKey is DOPKTIPUFYNYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-17-7-6-14-12-8-11(15-16-12)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H2,14,15,16).
What are the key properties of 5-(2-bromophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine?
5-(2-bromophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine has a molecular weight of 296.17 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 63047643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).