1-(4-bromopyrazol-1-yl)-1-(2-methoxyphenyl)butan-2-amine

C14H18BrN3O — CID 55021696

IUPAC1-(4-bromopyrazol-1-yl)-1-(2-methoxyphenyl)butan-2-amine
SMILESCCC(N)C(c1ccccc1OC)n1cc(Br)cn1
InChIInChI=1S/C14H18BrN3O/c1-3-12(16)14(18-9-10(15)8-17-18)11-6-4-5-7-13(11)19-2/h4-9,12,14H,3,16H2,1-2H3
InChIKeyYZURJBXVQFOJRY-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.98
Rot. Bonds5

About 1-(4-bromopyrazol-1-yl)-1-(2-methoxyphenyl)butan-2-amine

1-(4-bromopyrazol-1-yl)-1-(2-methoxyphenyl)butan-2-amine (PubChem CID 55021696) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 1-(4-bromopyrazol-1-yl)-1-(2-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(4-bromopyrazol-1-yl)-1-(2-methoxyphenyl)butan-2-amine
PubChem CID55021696
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name1-(4-bromopyrazol-1-yl)-1-(2-methoxyphenyl)butan-2-amine
SMILESCCC(N)C(c1ccccc1OC)n1cc(Br)cn1
InChIInChI=1S/C14H18BrN3O/c1-3-12(16)14(18-9-10(15)8-17-18)11-6-4-5-7-13(11)19-2/h4-9,12,14H,3,16H2,1-2H3
InChIKeyYZURJBXVQFOJRY-UHFFFAOYSA-N
XLogP2.98
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromopyrazol-1-yl)-1-(2-methoxyphenyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-amino-1-(2-methoxyphenyl)butyl]pyrazole-4-carboxamide
CID 64781614
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
1-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine
CID 83218854
1-(2,3-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine
CID 62124586
3-ethyl-1-(2-methoxyphenyl)pentan-1-amine
CID 82919557
(1R,2S)-1-amino-1-(2-methoxyphenyl)butan-2-ol
CID 96622527
4-amino-3-(2-methoxyphenyl)hexanoic acid
CID 66097523
1-(5-bromo-2-methoxyphenyl)-2-ethylbutan-1-amine
CID 43149088
methyl 2-[2-amino-1-(2-methoxyphenyl)butyl]sulfanylacetate
CID 55021558
1-N-ethyl-1-(2-methoxyphenyl)-1-N-propylbutane-1,2-diamine
CID 55021740
1-butan-2-ylsulfanyl-1-(2-methoxyphenyl)propan-2-amine
CID 55021945

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromopyrazol-1-yl)-1-(2-methoxyphenyl)butan-2-amine?
The IUPAC name of 1-(4-bromopyrazol-1-yl)-1-(2-methoxyphenyl)butan-2-amine (CID 55021696) is 1-(4-bromopyrazol-1-yl)-1-(2-methoxyphenyl)butan-2-amine.
What is the SMILES notation for 1-(4-bromopyrazol-1-yl)-1-(2-methoxyphenyl)butan-2-amine?
The canonical SMILES for 1-(4-bromopyrazol-1-yl)-1-(2-methoxyphenyl)butan-2-amine is CCC(N)C(c1ccccc1OC)n1cc(Br)cn1.
What is the InChIKey of 1-(4-bromopyrazol-1-yl)-1-(2-methoxyphenyl)butan-2-amine?
The InChIKey is YZURJBXVQFOJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-3-12(16)14(18-9-10(15)8-17-18)11-6-4-5-7-13(11)19-2/h4-9,12,14H,3,16H2,1-2H3.
What are the key properties of 1-(4-bromopyrazol-1-yl)-1-(2-methoxyphenyl)butan-2-amine?
1-(4-bromopyrazol-1-yl)-1-(2-methoxyphenyl)butan-2-amine has a molecular weight of 324.22 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromopyrazol-1-yl)-1-(2-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 55021696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).