5-(4-bromo-2-chlorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine

C12H13BrClN3O — CID 82781603

IUPAC5-(4-bromo-2-chlorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine
SMILESCOCCNc1cc(-c2ccc(Br)cc2Cl)[nH]n1
InChIInChI=1S/C12H13BrClN3O/c1-18-5-4-15-12-7-11(16-17-12)9-3-2-8(13)6-10(9)14/h2-3,6-7H,4-5H2,1H3,(H2,15,16,17)
InChIKeyXQFAUAYYAJDTFD-UHFFFAOYSA-N
MW330.61 g/mol
LogP3.55
Rot. Bonds5

About 5-(4-bromo-2-chlorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine

5-(4-bromo-2-chlorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine (PubChem CID 82781603) has the molecular formula C12H13BrClN3O and a molecular weight of 330.61 g/mol. Its IUPAC name is 5-(4-bromo-2-chlorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-bromo-2-chlorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine
PubChem CID82781603
Molecular FormulaC12H13BrClN3O
Molecular Weight330.61 g/mol
Exact Mass328.99
IUPAC Name5-(4-bromo-2-chlorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine
SMILESCOCCNc1cc(-c2ccc(Br)cc2Cl)[nH]n1
InChIInChI=1S/C12H13BrClN3O/c1-18-5-4-15-12-7-11(16-17-12)9-3-2-8(13)6-10(9)14/h2-3,6-7H,4-5H2,1H3,(H2,15,16,17)
InChIKeyXQFAUAYYAJDTFD-UHFFFAOYSA-N
XLogP3.55
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.61
LogP ≤ 53.55
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-bromophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine
CID 63047643
5-(2-fluorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine
CID 55146147
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
5-(2-chlorophenyl)-N-propyl-1H-pyrazol-3-amine
CID 63047967
5-(4-bromo-2-chlorophenyl)-1H-pyrazol-3-amine
CID 43805552
N-(2-methoxyethyl)-5-(4-propylphenyl)-1H-pyrazol-3-amine
CID 55145955
N-(2-methoxyethyl)-5-(4-propoxyphenyl)-1H-pyrazol-3-amine
CID 63050056
4-N-(4-bromophenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856761
4-(4-bromo-2-chlorophenyl)-2H-triazole
CID 166607651
4-(4-bromo-2-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 82963455
5-bromo-N-(2-methoxyethyl)-2-methylaniline
CID 43806040

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-chlorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-bromo-2-chlorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine (CID 82781603) is 5-(4-bromo-2-chlorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-bromo-2-chlorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-bromo-2-chlorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine is COCCNc1cc(-c2ccc(Br)cc2Cl)[nH]n1.
What is the InChIKey of 5-(4-bromo-2-chlorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine?
The InChIKey is XQFAUAYYAJDTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN3O/c1-18-5-4-15-12-7-11(16-17-12)9-3-2-8(13)6-10(9)14/h2-3,6-7H,4-5H2,1H3,(H2,15,16,17).
What are the key properties of 5-(4-bromo-2-chlorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine?
5-(4-bromo-2-chlorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine has a molecular weight of 330.61 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-chlorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 82781603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).