N-[2-(4-bromopyrazol-1-yl)ethyl]-2-methylpropan-1-amine

C9H16BrN3 — CID 62442905

IUPACN-[2-(4-bromopyrazol-1-yl)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCn1cc(Br)cn1
InChIInChI=1S/C9H16BrN3/c1-8(2)5-11-3-4-13-7-9(10)6-12-13/h6-8,11H,3-5H2,1-2H3
InChIKeyIXFLMQNSZDNONR-UHFFFAOYSA-N
MW246.15 g/mol
LogP1.89
Rot. Bonds5

About N-[2-(4-bromopyrazol-1-yl)ethyl]-2-methylpropan-1-amine

N-[2-(4-bromopyrazol-1-yl)ethyl]-2-methylpropan-1-amine (PubChem CID 62442905) has the molecular formula C9H16BrN3 and a molecular weight of 246.15 g/mol. Its IUPAC name is N-[2-(4-bromopyrazol-1-yl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-bromopyrazol-1-yl)ethyl]-2-methylpropan-1-amine
PubChem CID62442905
Molecular FormulaC9H16BrN3
Molecular Weight246.15 g/mol
Exact Mass245.05
IUPAC NameN-[2-(4-bromopyrazol-1-yl)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCn1cc(Br)cn1
InChIInChI=1S/C9H16BrN3/c1-8(2)5-11-3-4-13-7-9(10)6-12-13/h6-8,11H,3-5H2,1-2H3
InChIKeyIXFLMQNSZDNONR-UHFFFAOYSA-N
XLogP1.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-bromopyrazol-1-yl)ethyl]-4-methylpentan-1-amine
CID 62566789
4-(4-bromopyrazol-1-yl)-N-propan-2-ylbutan-1-amine
CID 62441912
3-(4-bromopyrazol-1-yl)-N-ethyl-2-methylpropan-1-amine
CID 62441347
4-(4-bromopyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62442513
N-[[5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62441140
2-(4-bromopyrazol-1-yl)-N-(cyclohexylmethyl)ethanamine
CID 62566245
1-(4-bromopyrazol-1-yl)-N-propan-2-ylpropan-2-amine
CID 115705468
3-(4-bromopyrazol-1-yl)-N,2-dimethylpropan-1-amine
CID 62441346
1-(4-bromopyrazol-1-yl)-3-(ethylamino)propan-2-ol
CID 61036530
4-bromo-1-(2-methoxyethyl)pyrazole
CID 23247855
(2R)-1-(4-bromopyrazol-1-yl)propan-2-ol
CID 93455524
N-[2-(4-bromopyrazol-1-yl)ethyl]-1,3-thiazol-2-amine
CID 130563769

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromopyrazol-1-yl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(4-bromopyrazol-1-yl)ethyl]-2-methylpropan-1-amine (CID 62442905) is N-[2-(4-bromopyrazol-1-yl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(4-bromopyrazol-1-yl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(4-bromopyrazol-1-yl)ethyl]-2-methylpropan-1-amine is CC(C)CNCCn1cc(Br)cn1.
What is the InChIKey of N-[2-(4-bromopyrazol-1-yl)ethyl]-2-methylpropan-1-amine?
The InChIKey is IXFLMQNSZDNONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN3/c1-8(2)5-11-3-4-13-7-9(10)6-12-13/h6-8,11H,3-5H2,1-2H3.
What are the key properties of N-[2-(4-bromopyrazol-1-yl)ethyl]-2-methylpropan-1-amine?
N-[2-(4-bromopyrazol-1-yl)ethyl]-2-methylpropan-1-amine has a molecular weight of 246.15 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromopyrazol-1-yl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62442905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).