1-(3-bromo-5-chlorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine

C14H17BrClN3 — CID 107947047

IUPAC1-(3-bromo-5-chlorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCNC(CCc1cnn(C)c1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H17BrClN3/c1-17-14(4-3-10-8-18-19(2)9-10)11-5-12(15)7-13(16)6-11/h5-9,14,17H,3-4H2,1-2H3
InChIKeyTVPNNVUSUUZENK-UHFFFAOYSA-N
MW342.67 g/mol
LogP3.73
Rot. Bonds5

About 1-(3-bromo-5-chlorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine

1-(3-bromo-5-chlorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 107947047) has the molecular formula C14H17BrClN3 and a molecular weight of 342.67 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID107947047
Molecular FormulaC14H17BrClN3
Molecular Weight342.67 g/mol
Exact Mass341.03
IUPAC Name1-(3-bromo-5-chlorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCNC(CCc1cnn(C)c1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H17BrClN3/c1-17-14(4-3-10-8-18-19(2)9-10)11-5-12(15)7-13(16)6-11/h5-9,14,17H,3-4H2,1-2H3
InChIKeyTVPNNVUSUUZENK-UHFFFAOYSA-N
XLogP3.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.67
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromo-5-chlorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)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

1-(5-bromo-3-pyridinyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011495
N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine
CID 103010532
1-(5-bromothiophen-3-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029803
1-(2-chloro-4-fluorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009971
1-(2,4-difluorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103010034
N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 62125869
1-(3-bromo-5-chlorophenyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 107946146
[1-(3,5-difluorophenyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025740
1-(3-bromo-5-chlorophenyl)-N-methylhex-5-en-1-amine
CID 107945974
2,6-dibromo-4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]aniline
CID 114209108
N-methyl-3-(1-methylpyrazol-4-yl)-1-(5-methylthiophen-2-yl)propan-1-amine
CID 103030144
1-(3-bromophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103009371

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 107947047) is 1-(3-bromo-5-chlorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine is CNC(CCc1cnn(C)c1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is TVPNNVUSUUZENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3/c1-17-14(4-3-10-8-18-19(2)9-10)11-5-12(15)7-13(16)6-11/h5-9,14,17H,3-4H2,1-2H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
1-(3-bromo-5-chlorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 342.67 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 107947047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).