5-(2,4-dibromophenyl)-4-ethyl-1H-pyrazol-3-amine

C11H11Br2N3 — CID 107955144

IUPAC5-(2,4-dibromophenyl)-4-ethyl-1H-pyrazol-3-amine
SMILESCCc1c(N)n[nH]c1-c1ccc(Br)cc1Br
InChIInChI=1S/C11H11Br2N3/c1-2-7-10(15-16-11(7)14)8-4-3-6(12)5-9(8)13/h3-5H,2H2,1H3,(H3,14,15,16)
InChIKeyIRXAASRBFDNYKM-UHFFFAOYSA-N
MW345.04 g/mol
LogP3.75
Rot. Bonds2

About 5-(2,4-dibromophenyl)-4-ethyl-1H-pyrazol-3-amine

5-(2,4-dibromophenyl)-4-ethyl-1H-pyrazol-3-amine (PubChem CID 107955144) has the molecular formula C11H11Br2N3 and a molecular weight of 345.04 g/mol. Its IUPAC name is 5-(2,4-dibromophenyl)-4-ethyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,4-dibromophenyl)-4-ethyl-1H-pyrazol-3-amine
PubChem CID107955144
Molecular FormulaC11H11Br2N3
Molecular Weight345.04 g/mol
Exact Mass342.93
IUPAC Name5-(2,4-dibromophenyl)-4-ethyl-1H-pyrazol-3-amine
SMILESCCc1c(N)n[nH]c1-c1ccc(Br)cc1Br
InChIInChI=1S/C11H11Br2N3/c1-2-7-10(15-16-11(7)14)8-4-3-6(12)5-9(8)13/h3-5H,2H2,1H3,(H3,14,15,16)
InChIKeyIRXAASRBFDNYKM-UHFFFAOYSA-N
XLogP3.75
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.04
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-bromo-4-methoxyphenyl)-4-ethyl-1H-pyrazol-3-amine
CID 91756346
5-(2,4-dibromophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 107955079
5-(2,3-dimethylphenyl)-4-ethyl-1H-pyrazol-3-amine
CID 43670611
5-(2,3-dichlorophenyl)-4-ethyl-1H-pyrazol-3-amine
CID 43670697
5-(4-bromo-1-methylpyrazol-3-yl)-4-ethyl-1H-pyrazol-3-amine
CID 165492799
5-(4-bromo-2-methylphenyl)-4-fluoro-1H-pyrazol-3-amine
CID 165499403
4-ethyl-5-(2-methyl-5-nitrophenyl)-1H-pyrazol-3-amine
CID 61292087
5-(5-bromo-1,3-thiazol-4-yl)-4-ethyl-1H-pyrazol-3-amine
CID 164653963
4-ethyl-5-(5-fluoro-2-nitrophenyl)-1H-pyrazol-3-amine
CID 60877526
4-ethyl-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine
CID 63210316
5-(5-chlorothiophen-2-yl)-4-ethyl-1H-pyrazol-3-amine
CID 62278595
5-[4-bromo-2-(trifluoromethyl)phenyl]-4-propan-2-yl-1H-pyrazol-3-amine
CID 107332999

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dibromophenyl)-4-ethyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,4-dibromophenyl)-4-ethyl-1H-pyrazol-3-amine (CID 107955144) is 5-(2,4-dibromophenyl)-4-ethyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,4-dibromophenyl)-4-ethyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,4-dibromophenyl)-4-ethyl-1H-pyrazol-3-amine is CCc1c(N)n[nH]c1-c1ccc(Br)cc1Br.
What is the InChIKey of 5-(2,4-dibromophenyl)-4-ethyl-1H-pyrazol-3-amine?
The InChIKey is IRXAASRBFDNYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N3/c1-2-7-10(15-16-11(7)14)8-4-3-6(12)5-9(8)13/h3-5H,2H2,1H3,(H3,14,15,16).
What are the key properties of 5-(2,4-dibromophenyl)-4-ethyl-1H-pyrazol-3-amine?
5-(2,4-dibromophenyl)-4-ethyl-1H-pyrazol-3-amine has a molecular weight of 345.04 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dibromophenyl)-4-ethyl-1H-pyrazol-3-amine is sourced from PubChem (CID 107955144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).