3-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-amine

C8H14BrN3 — CID 83895039

IUPAC3-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1c(Br)cnn1C
InChIInChI=1S/C8H14BrN3/c1-6(4-10)3-8-7(9)5-11-12(8)2/h5-6H,3-4,10H2,1-2H3
InChIKeyCIMSQCRLDVIPQI-UHFFFAOYSA-N
MW232.12 g/mol
LogP1.32
Rot. Bonds3

About 3-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-amine

3-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-amine (PubChem CID 83895039) has the molecular formula C8H14BrN3 and a molecular weight of 232.12 g/mol. Its IUPAC name is 3-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-amine
PubChem CID83895039
Molecular FormulaC8H14BrN3
Molecular Weight232.12 g/mol
Exact Mass231.04
IUPAC Name3-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1c(Br)cnn1C
InChIInChI=1S/C8H14BrN3/c1-6(4-10)3-8-7(9)5-11-12(8)2/h5-6H,3-4,10H2,1-2H3
InChIKeyCIMSQCRLDVIPQI-UHFFFAOYSA-N
XLogP1.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-1-methylpyrazol-5-yl)-N,2-dimethylpropan-1-amine
CID 114664458
(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 17024779
ethyl 2-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanoate
CID 83441099
4-bromo-5-[(3,3-difluoroazetidin-1-yl)methyl]-1-methylpyrazole
CID 170563364
4-bromo-1-methyl-5-(pyrrolidin-1-ylmethyl)pyrazole
CID 130616658
2-[(4-bromo-1-methylpyrazol-5-yl)-fluoromethyl]-3-methylbutan-1-amine
CID 107443558
4-bromo-5-(3-bromopropyl)-1-methylpyrazole
CID 114665343
3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine
CID 114667287
2-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62505178
2-(5-bromo-1-methylpyrazol-4-yl)propan-1-amine
CID 84785906
1-(4-bromo-1-methylpyrazol-5-yl)pentan-3-one
CID 114663538
N'-benzyl-N'-[(4-bromo-1-methylpyrazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120844337

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-amine (CID 83895039) is 3-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-amine is CC(CN)Cc1c(Br)cnn1C.
What is the InChIKey of 3-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-amine?
The InChIKey is CIMSQCRLDVIPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN3/c1-6(4-10)3-8-7(9)5-11-12(8)2/h5-6H,3-4,10H2,1-2H3.
What are the key properties of 3-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-amine?
3-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-amine has a molecular weight of 232.12 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 83895039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).