N-[(3-bromo-2-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methyl]ethanamine

C13H14BrCl2N3 — CID 105046639

IUPACN-[(3-bromo-2-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cccc(Br)c1Cl)c1c(Cl)cnn1C
InChIInChI=1S/C13H14BrCl2N3/c1-3-17-12(13-10(15)7-18-19(13)2)8-5-4-6-9(14)11(8)16/h4-7,12,17H,3H2,1-2H3
InChIKeyFFYGERLRWHGEHD-UHFFFAOYSA-N
MW363.09 g/mol
LogP4.19
Rot. Bonds4

About N-[(3-bromo-2-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methyl]ethanamine

N-[(3-bromo-2-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methyl]ethanamine (PubChem CID 105046639) has the molecular formula C13H14BrCl2N3 and a molecular weight of 363.09 g/mol. Its IUPAC name is N-[(3-bromo-2-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-2-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methyl]ethanamine
PubChem CID105046639
Molecular FormulaC13H14BrCl2N3
Molecular Weight363.09 g/mol
Exact Mass360.97
IUPAC NameN-[(3-bromo-2-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cccc(Br)c1Cl)c1c(Cl)cnn1C
InChIInChI=1S/C13H14BrCl2N3/c1-3-17-12(13-10(15)7-18-19(13)2)8-5-4-6-9(14)11(8)16/h4-7,12,17H,3H2,1-2H3
InChIKeyFFYGERLRWHGEHD-UHFFFAOYSA-N
XLogP4.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.09
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-bromo-2-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methyl]ethanamine 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-(3-bromo-2-chlorophenyl)-1-(4-chloro-1-ethylpyrazol-5-yl)-N-methylmethanamine
CID 105040798
N-[(3-bromo-2-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]ethanamine
CID 107953676
N-[(4-chloro-1-methylpyrazol-5-yl)-(2-chlorophenyl)methyl]propan-1-amine
CID 114649321
N-[(4-chloro-1-methylpyrazol-5-yl)-(4-ethoxyphenyl)methyl]ethanamine
CID 105046393
[(3-bromo-2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105339123
(3-bromo-2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 115835583
N-[(4-chloro-1-methylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 105046319
N-[(4-chloro-1-methylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 114648823
[(4-chloro-1-methylpyrazol-5-yl)-(2-ethoxyphenyl)methyl]hydrazine
CID 105260785
N-[(2-bromo-4-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105042540
2-(3-bromophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine
CID 114648016
N-[(3-bromo-2-chlorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 115855252

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-2-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methyl]ethanamine (CID 105046639) is N-[(3-bromo-2-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-2-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-2-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methyl]ethanamine is CCNC(c1cccc(Br)c1Cl)c1c(Cl)cnn1C.
What is the InChIKey of N-[(3-bromo-2-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methyl]ethanamine?
The InChIKey is FFYGERLRWHGEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrCl2N3/c1-3-17-12(13-10(15)7-18-19(13)2)8-5-4-6-9(14)11(8)16/h4-7,12,17H,3H2,1-2H3.
What are the key properties of N-[(3-bromo-2-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methyl]ethanamine?
N-[(3-bromo-2-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methyl]ethanamine has a molecular weight of 363.09 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105046639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).