1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N,N,4-trimethylpyrrolidin-3-amine

C15H27BrN4 — CID 81474756

IUPAC1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCc1nn(CC)c(CN2CC(C)C(N(C)C)C2)c1Br
InChIInChI=1S/C15H27BrN4/c1-6-12-15(16)14(20(7-2)17-12)10-19-8-11(3)13(9-19)18(4)5/h11,13H,6-10H2,1-5H3
InChIKeyBGWAGYUNTGNSPB-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.61
Rot. Bonds5

About 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N,N,4-trimethylpyrrolidin-3-amine

1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81474756) has the molecular formula C15H27BrN4 and a molecular weight of 343.31 g/mol. Its IUPAC name is 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81474756
Molecular FormulaC15H27BrN4
Molecular Weight343.31 g/mol
Exact Mass342.14
IUPAC Name1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCc1nn(CC)c(CN2CC(C)C(N(C)C)C2)c1Br
InChIInChI=1S/C15H27BrN4/c1-6-12-15(16)14(20(7-2)17-12)10-19-8-11(3)13(9-19)18(4)5/h11,13H,6-10H2,1-5H3
InChIKeyBGWAGYUNTGNSPB-UHFFFAOYSA-N
XLogP2.61
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-amine
CID 115301850
4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]morpholine-2-carboximidamide
CID 79681458
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carbonitrile
CID 107160828
(2R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2-methylpiperazine
CID 82761869
4-bromo-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-1,3-diethylpyrazole
CID 66466489
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2-ethylazepane
CID 104691386
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide
CID 107162109
4-bromo-5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-1,3-diethylpyrazole
CID 79448216
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]triazol-4-amine
CID 79543366
1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-2-yl]propan-2-one
CID 79547136
1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine
CID 114419561
1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidin-3-ol
CID 102959533

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81474756) is 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N,N,4-trimethylpyrrolidin-3-amine is CCc1nn(CC)c(CN2CC(C)C(N(C)C)C2)c1Br.
What is the InChIKey of 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is BGWAGYUNTGNSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrN4/c1-6-12-15(16)14(20(7-2)17-12)10-19-8-11(3)13(9-19)18(4)5/h11,13H,6-10H2,1-5H3.
What are the key properties of 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 343.31 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81474756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).