N-[1-(4-bromopyrazol-1-yl)propan-2-yl]pent-4-en-2-amine

C11H18BrN3 — CID 115890386

IUPACN-[1-(4-bromopyrazol-1-yl)propan-2-yl]pent-4-en-2-amine
SMILESC=CCC(C)NC(C)Cn1cc(Br)cn1
InChIInChI=1S/C11H18BrN3/c1-4-5-9(2)14-10(3)7-15-8-11(12)6-13-15/h4,6,8-10,14H,1,5,7H2,2-3H3
InChIKeyNJRODMWMXFFEMR-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.59
Rot. Bonds6

About N-[1-(4-bromopyrazol-1-yl)propan-2-yl]pent-4-en-2-amine

N-[1-(4-bromopyrazol-1-yl)propan-2-yl]pent-4-en-2-amine (PubChem CID 115890386) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is N-[1-(4-bromopyrazol-1-yl)propan-2-yl]pent-4-en-2-amine.

Molecular Properties

Compound NameN-[1-(4-bromopyrazol-1-yl)propan-2-yl]pent-4-en-2-amine
PubChem CID115890386
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC NameN-[1-(4-bromopyrazol-1-yl)propan-2-yl]pent-4-en-2-amine
SMILESC=CCC(C)NC(C)Cn1cc(Br)cn1
InChIInChI=1S/C11H18BrN3/c1-4-5-9(2)14-10(3)7-15-8-11(12)6-13-15/h4,6,8-10,14H,1,5,7H2,2-3H3
InChIKeyNJRODMWMXFFEMR-UHFFFAOYSA-N
XLogP2.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromopyrazol-1-yl)-N-propan-2-ylpropan-2-amine
CID 115705468
N-[1-(4-bromopyrazol-1-yl)propan-2-yl]pentan-3-amine
CID 115705013
(2R)-1-(4-bromopyrazol-1-yl)propan-2-ol
CID 93455524
3-(4-bromopyrazol-1-yl)-N-butan-2-yl-2-methylpropanamide
CID 19564677
3-(4-bromopyrazol-1-yl)-N,2-dimethylpropan-1-amine
CID 62441346
(3R)-3-[[(2S)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-3-phenylpropan-1-ol
CID 97322802
4-bromo-1-(2-methoxypropyl)pyrazole
CID 66760407
1-(4-bromopyrazol-1-yl)-N-[(1-methylcyclobutyl)methyl]propan-2-amine
CID 115892783
1-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-2-amine
CID 104585466
3-(4-bromopyrazol-1-yl)-N-ethyl-2-methylpropan-1-amine
CID 62441347
1-(4-bromopyrazol-1-yl)-3-(ethylamino)propan-2-ol
CID 61036530
1-(4-bromopyrazol-1-yl)-N-(1,2-oxazol-3-ylmethyl)propan-2-amine
CID 115726379

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromopyrazol-1-yl)propan-2-yl]pent-4-en-2-amine?
The IUPAC name of N-[1-(4-bromopyrazol-1-yl)propan-2-yl]pent-4-en-2-amine (CID 115890386) is N-[1-(4-bromopyrazol-1-yl)propan-2-yl]pent-4-en-2-amine.
What is the SMILES notation for N-[1-(4-bromopyrazol-1-yl)propan-2-yl]pent-4-en-2-amine?
The canonical SMILES for N-[1-(4-bromopyrazol-1-yl)propan-2-yl]pent-4-en-2-amine is C=CCC(C)NC(C)Cn1cc(Br)cn1.
What is the InChIKey of N-[1-(4-bromopyrazol-1-yl)propan-2-yl]pent-4-en-2-amine?
The InChIKey is NJRODMWMXFFEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-4-5-9(2)14-10(3)7-15-8-11(12)6-13-15/h4,6,8-10,14H,1,5,7H2,2-3H3.
What are the key properties of N-[1-(4-bromopyrazol-1-yl)propan-2-yl]pent-4-en-2-amine?
N-[1-(4-bromopyrazol-1-yl)propan-2-yl]pent-4-en-2-amine has a molecular weight of 272.19 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromopyrazol-1-yl)propan-2-yl]pent-4-en-2-amine is sourced from PubChem (CID 115890386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).