N-[[1-(4-bromo-3-methoxyphenyl)pyrazol-3-yl]methyl]propan-1-amine

C14H18BrN3O — CID 107623495

IUPACN-[[1-(4-bromo-3-methoxyphenyl)pyrazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccn(-c2ccc(Br)c(OC)c2)n1
InChIInChI=1S/C14H18BrN3O/c1-3-7-16-10-11-6-8-18(17-11)12-4-5-13(15)14(9-12)19-2/h4-6,8-9,16H,3,7,10H2,1-2H3
InChIKeyHNVIRCCWOVCLDG-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.14
Rot. Bonds6

About N-[[1-(4-bromo-3-methoxyphenyl)pyrazol-3-yl]methyl]propan-1-amine

N-[[1-(4-bromo-3-methoxyphenyl)pyrazol-3-yl]methyl]propan-1-amine (PubChem CID 107623495) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is N-[[1-(4-bromo-3-methoxyphenyl)pyrazol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(4-bromo-3-methoxyphenyl)pyrazol-3-yl]methyl]propan-1-amine
PubChem CID107623495
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC NameN-[[1-(4-bromo-3-methoxyphenyl)pyrazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccn(-c2ccc(Br)c(OC)c2)n1
InChIInChI=1S/C14H18BrN3O/c1-3-7-16-10-11-6-8-18(17-11)12-4-5-13(15)14(9-12)19-2/h4-6,8-9,16H,3,7,10H2,1-2H3
InChIKeyHNVIRCCWOVCLDG-UHFFFAOYSA-N
XLogP3.14
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[1-(4-bromo-3-methoxyphenyl)pyrazol-3-yl]methyl]propan-1-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

N-[[1-(4-bromo-3-methoxyphenyl)pyrazol-3-yl]methyl]-2-methoxyethanamine
CID 107623497
N-[(1-pyrimidin-5-ylpyrazol-3-yl)methyl]propan-1-amine
CID 107590369
N-[[1-(3-fluoro-4-nitrophenyl)pyrazol-3-yl]methyl]propan-1-amine
CID 82844452
N-[[1-(4-chloro-3-methoxyphenyl)triazol-4-yl]methyl]propan-1-amine
CID 107622995
N-[[1-(6-bromonaphthalen-2-yl)pyrazol-3-yl]methyl]ethanamine
CID 81259536
N-[[1-(4-bromo-2,3-dichlorophenyl)pyrazol-3-yl]methyl]-2-methoxyethanamine
CID 107794586
N-[[1-(2-bromo-5-fluorophenyl)pyrazol-3-yl]methyl]-2-methoxyethanamine
CID 107627583
N-[[1-(4-bromo-3-methoxyphenyl)triazol-4-yl]methyl]propan-2-amine
CID 107623521
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78943295
1-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227214
1-(3,4-dimethoxyphenyl)pyrazol-3-amine
CID 82392973
N-[[5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62137567

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-bromo-3-methoxyphenyl)pyrazol-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(4-bromo-3-methoxyphenyl)pyrazol-3-yl]methyl]propan-1-amine (CID 107623495) is N-[[1-(4-bromo-3-methoxyphenyl)pyrazol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(4-bromo-3-methoxyphenyl)pyrazol-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(4-bromo-3-methoxyphenyl)pyrazol-3-yl]methyl]propan-1-amine is CCCNCc1ccn(-c2ccc(Br)c(OC)c2)n1.
What is the InChIKey of N-[[1-(4-bromo-3-methoxyphenyl)pyrazol-3-yl]methyl]propan-1-amine?
The InChIKey is HNVIRCCWOVCLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-3-7-16-10-11-6-8-18(17-11)12-4-5-13(15)14(9-12)19-2/h4-6,8-9,16H,3,7,10H2,1-2H3.
What are the key properties of N-[[1-(4-bromo-3-methoxyphenyl)pyrazol-3-yl]methyl]propan-1-amine?
N-[[1-(4-bromo-3-methoxyphenyl)pyrazol-3-yl]methyl]propan-1-amine has a molecular weight of 324.22 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-bromo-3-methoxyphenyl)pyrazol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 107623495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).