N-[3-[1-(3-bromophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine

C16H22BrN3 — CID 62719146

IUPACN-[3-[1-(3-bromophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCc1cnn(-c2cccc(Br)c2)c1
InChIInChI=1S/C16H22BrN3/c1-16(2,3)18-9-5-6-13-11-19-20(12-13)15-8-4-7-14(17)10-15/h4,7-8,10-12,18H,5-6,9H2,1-3H3
InChIKeyDEHWIDWTOPLKAW-UHFFFAOYSA-N
MW336.28 g/mol
LogP3.96
Rot. Bonds5

About N-[3-[1-(3-bromophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine

N-[3-[1-(3-bromophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine (PubChem CID 62719146) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is N-[3-[1-(3-bromophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-[1-(3-bromophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine
PubChem CID62719146
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC NameN-[3-[1-(3-bromophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCc1cnn(-c2cccc(Br)c2)c1
InChIInChI=1S/C16H22BrN3/c1-16(2,3)18-9-5-6-13-11-19-20(12-13)15-8-4-7-14(17)10-15/h4,7-8,10-12,18H,5-6,9H2,1-3H3
InChIKeyDEHWIDWTOPLKAW-UHFFFAOYSA-N
XLogP3.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[1-(3-bromophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(3-bromophenyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62719469
4-[4-[3-(tert-butylamino)propyl]pyrazol-1-yl]benzonitrile
CID 62719123
N-[3-[1-(2-fluorophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine
CID 62717967
N-[3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]propyl]-2-methylpropan-2-amine
CID 63278706
3-[1-(3-chlorophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propan-1-amine
CID 62719108
1-(3-bromophenyl)pyrazol-4-amine
CID 43542774
3-[1-(3-nitrophenyl)pyrazol-4-yl]-N-propan-2-ylpropan-1-amine
CID 62719112
2-methyl-N-[3-(1-pentan-3-ylpyrazol-4-yl)propyl]propan-2-amine
CID 62719497
3-[4-[3-(2-methoxyethylamino)propyl]pyrazol-1-yl]benzonitrile
CID 62719315
1-(3-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide
CID 119505644
3-amino-3-[1-(3-bromophenyl)pyrazol-4-yl]-2,2-difluorobutan-1-ol
CID 71009106
N-[[1-[(3-bromophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62732126

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(3-bromophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-[1-(3-bromophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine (CID 62719146) is N-[3-[1-(3-bromophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-[1-(3-bromophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-[1-(3-bromophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine is CC(C)(C)NCCCc1cnn(-c2cccc(Br)c2)c1.
What is the InChIKey of N-[3-[1-(3-bromophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine?
The InChIKey is DEHWIDWTOPLKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-16(2,3)18-9-5-6-13-11-19-20(12-13)15-8-4-7-14(17)10-15/h4,7-8,10-12,18H,5-6,9H2,1-3H3.
What are the key properties of N-[3-[1-(3-bromophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine?
N-[3-[1-(3-bromophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine has a molecular weight of 336.28 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(3-bromophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62719146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).