2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-fluoropropan-1-amine

C10H18BrFN4 — CID 114667784

IUPAC2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-fluoropropan-1-amine
SMILESCN(C)CCn1ncc(Br)c1C(C)(F)CN
InChIInChI=1S/C10H18BrFN4/c1-10(12,7-13)9-8(11)6-14-16(9)5-4-15(2)3/h6H,4-5,7,13H2,1-3H3
InChIKeyGQXWYBBHTGDONU-UHFFFAOYSA-N
MW293.18 g/mol
LogP1.35
Rot. Bonds5

About 2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-fluoropropan-1-amine

2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-fluoropropan-1-amine (PubChem CID 114667784) has the molecular formula C10H18BrFN4 and a molecular weight of 293.18 g/mol. Its IUPAC name is 2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-fluoropropan-1-amine.

Molecular Properties

Compound Name2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-fluoropropan-1-amine
PubChem CID114667784
Molecular FormulaC10H18BrFN4
Molecular Weight293.18 g/mol
Exact Mass292.07
IUPAC Name2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-fluoropropan-1-amine
SMILESCN(C)CCn1ncc(Br)c1C(C)(F)CN
InChIInChI=1S/C10H18BrFN4/c1-10(12,7-13)9-8(11)6-14-16(9)5-4-15(2)3/h6H,4-5,7,13H2,1-3H3
InChIKeyGQXWYBBHTGDONU-UHFFFAOYSA-N
XLogP1.35
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.18
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1,1-dimethoxypropan-2-ol
CID 114636618
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-fluorophenyl)ethanol
CID 114633372
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-bromophenyl)ethanol
CID 114633471
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2,2-trifluoroethanol
CID 114643507
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 114656523
2-(4-bromo-1-methylpyrazol-5-yl)-2-fluoro-3,3-dimethylbutan-1-amine
CID 114667850
2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-4-(propylamino)butan-2-ol
CID 114665958
3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-amine
CID 114666504
2-[5-[2-(aminomethyl)cyclohexyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 114666566
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656621
2-[4-bromo-5-(methylaminomethyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 114652050
(E)-4-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]but-3-en-1-amine
CID 114666174

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-fluoropropan-1-amine?
The IUPAC name of 2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-fluoropropan-1-amine (CID 114667784) is 2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-fluoropropan-1-amine.
What is the SMILES notation for 2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-fluoropropan-1-amine?
The canonical SMILES for 2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-fluoropropan-1-amine is CN(C)CCn1ncc(Br)c1C(C)(F)CN.
What is the InChIKey of 2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-fluoropropan-1-amine?
The InChIKey is GQXWYBBHTGDONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrFN4/c1-10(12,7-13)9-8(11)6-14-16(9)5-4-15(2)3/h6H,4-5,7,13H2,1-3H3.
What are the key properties of 2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-fluoropropan-1-amine?
2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-fluoropropan-1-amine has a molecular weight of 293.18 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-fluoropropan-1-amine is sourced from PubChem (CID 114667784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).