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

C15H19BrClN3O — CID 115960875

IUPAC[5-bromo-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]methanamine
SMILESCCn1nc(C)c(Cl)c1COc1c(C)cc(Br)cc1CN
InChIInChI=1S/C15H19BrClN3O/c1-4-20-13(14(17)10(3)19-20)8-21-15-9(2)5-12(16)6-11(15)7-18/h5-6H,4,7-8,18H2,1-3H3
InChIKeyWNOQWOWMXOIDJY-UHFFFAOYSA-N
MW372.69 g/mol
LogP3.97
Rot. Bonds5

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

[5-bromo-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]methanamine (PubChem CID 115960875) has the molecular formula C15H19BrClN3O and a molecular weight of 372.69 g/mol. Its IUPAC name is [5-bromo-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]methanamine
PubChem CID115960875
Molecular FormulaC15H19BrClN3O
Molecular Weight372.69 g/mol
Exact Mass371.04
IUPAC Name[5-bromo-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]methanamine
SMILESCCn1nc(C)c(Cl)c1COc1c(C)cc(Br)cc1CN
InChIInChI=1S/C15H19BrClN3O/c1-4-20-13(14(17)10(3)19-20)8-21-15-9(2)5-12(16)6-11(15)7-18/h5-6H,4,7-8,18H2,1-3H3
InChIKeyWNOQWOWMXOIDJY-UHFFFAOYSA-N
XLogP3.97
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.69
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-bromo-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]methanamine with MolForge

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Related Compounds

1-[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952218
[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-chlorophenyl]methanamine
CID 115951898
[3,5-dibromo-4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]methanamine
CID 107741444
[5-bromo-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 112619888
[5-bromo-3-methyl-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 112619895
[5-bromo-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-methylphenyl]methanamine
CID 112619709
[5-bromo-2-(3-ethylsulfanylpropoxy)-3-methylphenyl]methanamine
CID 113473487
[5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]-3-methylphenyl]methanamine
CID 112619743
[5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methylphenyl]methanamine
CID 112619707
[5-bromo-2-[(1,3-diethylpyrazol-5-yl)methoxy]-3-methylphenyl]methanol
CID 115962171
[5-bromo-2-(2-ethylsulfonylethoxy)-3-methylphenyl]methanamine
CID 112619878
(1S)-1-[4-bromo-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 102949064

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]methanamine?
The IUPAC name of [5-bromo-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]methanamine (CID 115960875) is [5-bromo-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]methanamine.
What is the SMILES notation for [5-bromo-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]methanamine?
The canonical SMILES for [5-bromo-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]methanamine is CCn1nc(C)c(Cl)c1COc1c(C)cc(Br)cc1CN.
What is the InChIKey of [5-bromo-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]methanamine?
The InChIKey is WNOQWOWMXOIDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClN3O/c1-4-20-13(14(17)10(3)19-20)8-21-15-9(2)5-12(16)6-11(15)7-18/h5-6H,4,7-8,18H2,1-3H3.
What are the key properties of [5-bromo-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]methanamine?
[5-bromo-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]methanamine has a molecular weight of 372.69 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]methanamine is sourced from PubChem (CID 115960875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).