[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-chlorophenyl]methanamine

C14H17BrClN3O — CID 115951898

IUPAC[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-chlorophenyl]methanamine
SMILESCCn1nc(C)c(Br)c1COc1c(Cl)cccc1CN
InChIInChI=1S/C14H17BrClN3O/c1-3-19-12(13(15)9(2)18-19)8-20-14-10(7-17)5-4-6-11(14)16/h4-6H,3,7-8,17H2,1-2H3
InChIKeyGQWMSYQPOUSBLK-UHFFFAOYSA-N
MW358.67 g/mol
LogP3.67
Rot. Bonds5

About [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-chlorophenyl]methanamine

[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-chlorophenyl]methanamine (PubChem CID 115951898) has the molecular formula C14H17BrClN3O and a molecular weight of 358.67 g/mol. Its IUPAC name is [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-chlorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-chlorophenyl]methanamine
PubChem CID115951898
Molecular FormulaC14H17BrClN3O
Molecular Weight358.67 g/mol
Exact Mass357.02
IUPAC Name[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-chlorophenyl]methanamine
SMILESCCn1nc(C)c(Br)c1COc1c(Cl)cccc1CN
InChIInChI=1S/C14H17BrClN3O/c1-3-19-12(13(15)9(2)18-19)8-20-14-10(7-17)5-4-6-11(14)16/h4-6H,3,7-8,17H2,1-2H3
InChIKeyGQWMSYQPOUSBLK-UHFFFAOYSA-N
XLogP3.67
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.67
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-chlorophenyl]methanamine 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

[3,5-dibromo-4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]methanamine
CID 107741444
1-[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952144
[5-bromo-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]methanamine
CID 115960875
[3-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine
CID 112607696
[2-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-chlorophenyl]methanamine
CID 115951901
5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-(bromomethyl)pyridine
CID 79799948
[3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine
CID 112607698
[3-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methanamine
CID 112607840
1-[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952218
[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]imidazol-4-yl]methanamine
CID 106718188
[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 112607605
[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
CID 112607574

Frequently Asked Questions

What is the IUPAC name of [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-chlorophenyl]methanamine?
The IUPAC name of [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-chlorophenyl]methanamine (CID 115951898) is [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-chlorophenyl]methanamine.
What is the SMILES notation for [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-chlorophenyl]methanamine?
The canonical SMILES for [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-chlorophenyl]methanamine is CCn1nc(C)c(Br)c1COc1c(Cl)cccc1CN.
What is the InChIKey of [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-chlorophenyl]methanamine?
The InChIKey is GQWMSYQPOUSBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3O/c1-3-19-12(13(15)9(2)18-19)8-20-14-10(7-17)5-4-6-11(14)16/h4-6H,3,7-8,17H2,1-2H3.
What are the key properties of [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-chlorophenyl]methanamine?
[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-chlorophenyl]methanamine has a molecular weight of 358.67 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-chlorophenyl]methanamine is sourced from PubChem (CID 115951898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).