5-(2-bromo-4-methoxyphenyl)-4-ethyl-1H-pyrazol-3-amine

C12H14BrN3O — CID 91756346

IUPAC5-(2-bromo-4-methoxyphenyl)-4-ethyl-1H-pyrazol-3-amine
SMILESCCc1c(N)n[nH]c1-c1ccc(OC)cc1Br
InChIInChI=1S/C12H14BrN3O/c1-3-8-11(15-16-12(8)14)9-5-4-7(17-2)6-10(9)13/h4-6H,3H2,1-2H3,(H3,14,15,16)
InChIKeyIZZLSCSAKAVNFU-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.99
Rot. Bonds3

About 5-(2-bromo-4-methoxyphenyl)-4-ethyl-1H-pyrazol-3-amine

5-(2-bromo-4-methoxyphenyl)-4-ethyl-1H-pyrazol-3-amine (PubChem CID 91756346) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 5-(2-bromo-4-methoxyphenyl)-4-ethyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-bromo-4-methoxyphenyl)-4-ethyl-1H-pyrazol-3-amine
PubChem CID91756346
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name5-(2-bromo-4-methoxyphenyl)-4-ethyl-1H-pyrazol-3-amine
SMILESCCc1c(N)n[nH]c1-c1ccc(OC)cc1Br
InChIInChI=1S/C12H14BrN3O/c1-3-8-11(15-16-12(8)14)9-5-4-7(17-2)6-10(9)13/h4-6H,3H2,1-2H3,(H3,14,15,16)
InChIKeyIZZLSCSAKAVNFU-UHFFFAOYSA-N
XLogP2.99
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,4-dibromophenyl)-4-ethyl-1H-pyrazol-3-amine
CID 107955144
3-(2-bromo-4-methoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 53418218
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
1-benzyl-3-(2-bromo-4-methoxyphenyl)-4-ethylpyrazol-5-amine
CID 53416531
4-amino-3-(2-bromo-4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 59052418
5-(5-bromo-1,3-thiazol-4-yl)-4-ethyl-1H-pyrazol-3-amine
CID 164653963
5-(4,5-dibromothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 80534161
2-bromo-1-ethyl-4-methoxybenzene
CID 59138196
4-ethyl-5-(5-fluoro-2-nitrophenyl)-1H-pyrazol-3-amine
CID 60877526
5-(4-methoxythiophen-2-yl)-4-propyl-1H-pyrazol-3-amine
CID 81122154

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-methoxyphenyl)-4-ethyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-bromo-4-methoxyphenyl)-4-ethyl-1H-pyrazol-3-amine (CID 91756346) is 5-(2-bromo-4-methoxyphenyl)-4-ethyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-bromo-4-methoxyphenyl)-4-ethyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-bromo-4-methoxyphenyl)-4-ethyl-1H-pyrazol-3-amine is CCc1c(N)n[nH]c1-c1ccc(OC)cc1Br.
What is the InChIKey of 5-(2-bromo-4-methoxyphenyl)-4-ethyl-1H-pyrazol-3-amine?
The InChIKey is IZZLSCSAKAVNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-3-8-11(15-16-12(8)14)9-5-4-7(17-2)6-10(9)13/h4-6H,3H2,1-2H3,(H3,14,15,16).
What are the key properties of 5-(2-bromo-4-methoxyphenyl)-4-ethyl-1H-pyrazol-3-amine?
5-(2-bromo-4-methoxyphenyl)-4-ethyl-1H-pyrazol-3-amine has a molecular weight of 296.17 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-methoxyphenyl)-4-ethyl-1H-pyrazol-3-amine is sourced from PubChem (CID 91756346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).