N-(2-bromoprop-2-enyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

C12H20BrN3 — CID 115717343

IUPACN-(2-bromoprop-2-enyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESC=C(Br)CNC(CC)c1c(C)nn(C)c1C
InChIInChI=1S/C12H20BrN3/c1-6-11(14-7-8(2)13)12-9(3)15-16(5)10(12)4/h11,14H,2,6-7H2,1,3-5H3
InChIKeyOADVSGKZGRCSLI-UHFFFAOYSA-N
MW286.22 g/mol
LogP2.99
Rot. Bonds5

About N-(2-bromoprop-2-enyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

N-(2-bromoprop-2-enyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (PubChem CID 115717343) has the molecular formula C12H20BrN3 and a molecular weight of 286.22 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
PubChem CID115717343
Molecular FormulaC12H20BrN3
Molecular Weight286.22 g/mol
Exact Mass285.08
IUPAC NameN-(2-bromoprop-2-enyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESC=C(Br)CNC(CC)c1c(C)nn(C)c1C
InChIInChI=1S/C12H20BrN3/c1-6-11(14-7-8(2)13)12-9(3)15-16(5)10(12)4/h11,14H,2,6-7H2,1,3-5H3
InChIKeyOADVSGKZGRCSLI-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide
CID 86789477
2-chloro-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]prop-2-en-1-amine
CID 115891116
2-amino-3-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]propanamide
CID 120991191
3-(methylamino)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 64812406
N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine
CID 105129458
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 105125446
(1R)-N-[(1R)-1-(3-methylthiophen-2-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 99635121
(1R)-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 99635119
N-ethyl-5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 105174254
2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
CID 62692855
2-(4-bromophenyl)-N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105088920
3-ethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,2,4-thiadiazol-5-amine
CID 133427128

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (CID 115717343) is N-(2-bromoprop-2-enyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is C=C(Br)CNC(CC)c1c(C)nn(C)c1C.
What is the InChIKey of N-(2-bromoprop-2-enyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The InChIKey is OADVSGKZGRCSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3/c1-6-11(14-7-8(2)13)12-9(3)15-16(5)10(12)4/h11,14H,2,6-7H2,1,3-5H3.
What are the key properties of N-(2-bromoprop-2-enyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
N-(2-bromoprop-2-enyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine has a molecular weight of 286.22 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 115717343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).