2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanamine

C12H14BrN3O — CID 116818582

IUPAC2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanamine
SMILESCOc1ccc(-n2cc(Br)c(CCN)n2)cc1
InChIInChI=1S/C12H14BrN3O/c1-17-10-4-2-9(3-5-10)16-8-11(13)12(15-16)6-7-14/h2-5,8H,6-7,14H2,1H3
InChIKeyFSOVXOBSEQIFFE-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.14
Rot. Bonds4

About 2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanamine

2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanamine (PubChem CID 116818582) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanamine
PubChem CID116818582
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanamine
SMILESCOc1ccc(-n2cc(Br)c(CCN)n2)cc1
InChIInChI=1S/C12H14BrN3O/c1-17-10-4-2-9(3-5-10)16-8-11(13)12(15-16)6-7-14/h2-5,8H,6-7,14H2,1H3
InChIKeyFSOVXOBSEQIFFE-UHFFFAOYSA-N
XLogP2.14
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanol
CID 116818802
2-[4-bromo-1-(4-ethylphenyl)pyrazol-3-yl]ethanamine
CID 116818567
2-[4-bromo-1-(4-nitrophenyl)pyrazol-3-yl]ethanamine
CID 116818595
7-bromo-5-methoxy-2-(4-methoxyphenyl)indazole
CID 176556601
2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethanamine
CID 82285171
[3-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanol
CID 138506131
2-[6-bromo-3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine
CID 28912632
3-[4-bromo-1-(3-methoxyphenyl)pyrazol-3-yl]propanoic acid
CID 116818732
4-(bromomethyl)-1-(4-methoxyphenyl)-3-methylpyrazole
CID 84617727
3-bromo-1-(4-methoxyphenyl)pyrazole
CID 84707783
ethyl 3-bromo-1-(4-methoxyphenyl)pyrazole-4-carboxylate
CID 138506113
3-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazol-4-amine
CID 83205030

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanamine?
The IUPAC name of 2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanamine (CID 116818582) is 2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanamine.
What is the SMILES notation for 2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanamine?
The canonical SMILES for 2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanamine is COc1ccc(-n2cc(Br)c(CCN)n2)cc1.
What is the InChIKey of 2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanamine?
The InChIKey is FSOVXOBSEQIFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-17-10-4-2-9(3-5-10)16-8-11(13)12(15-16)6-7-14/h2-5,8H,6-7,14H2,1H3.
What are the key properties of 2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanamine?
2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanamine has a molecular weight of 296.17 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanamine is sourced from PubChem (CID 116818582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).