N-[(4-bromo-3-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine

C15H19BrFN3O — CID 105048041

IUPACN-[(4-bromo-3-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)c(F)c1)c1c(OC)cnn1CC
InChIInChI=1S/C15H19BrFN3O/c1-4-18-14(10-6-7-11(16)12(17)8-10)15-13(21-3)9-19-20(15)5-2/h6-9,14,18H,4-5H2,1-3H3
InChIKeyLDYJPADOPOVBMT-UHFFFAOYSA-N
MW356.24 g/mol
LogP3.51
Rot. Bonds6

About N-[(4-bromo-3-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine

N-[(4-bromo-3-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine (PubChem CID 105048041) has the molecular formula C15H19BrFN3O and a molecular weight of 356.24 g/mol. Its IUPAC name is N-[(4-bromo-3-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-3-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
PubChem CID105048041
Molecular FormulaC15H19BrFN3O
Molecular Weight356.24 g/mol
Exact Mass355.07
IUPAC NameN-[(4-bromo-3-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)c(F)c1)c1c(OC)cnn1CC
InChIInChI=1S/C15H19BrFN3O/c1-4-18-14(10-6-7-11(16)12(17)8-10)15-13(21-3)9-19-20(15)5-2/h6-9,14,18H,4-5H2,1-3H3
InChIKeyLDYJPADOPOVBMT-UHFFFAOYSA-N
XLogP3.51
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
CID 114646936
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 105039950
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluorophenyl)methyl]propan-1-amine
CID 114646323
N-[(3-fluoro-4-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114647859
1-(3-bromo-4-chlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 114659732
N-[(5-bromothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
CID 114652680
(3-bromo-4-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114660068
1-(2-bromo-5-methylphenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105047758
1-(3-bromo-4-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114660093
(3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114646610
(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol
CID 114636339
N-[(3-bromo-5-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114656391

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-3-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine (CID 105048041) is N-[(4-bromo-3-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-3-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-3-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine is CCNC(c1ccc(Br)c(F)c1)c1c(OC)cnn1CC.
What is the InChIKey of N-[(4-bromo-3-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine?
The InChIKey is LDYJPADOPOVBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN3O/c1-4-18-14(10-6-7-11(16)12(17)8-10)15-13(21-3)9-19-20(15)5-2/h6-9,14,18H,4-5H2,1-3H3.
What are the key properties of N-[(4-bromo-3-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine?
N-[(4-bromo-3-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine has a molecular weight of 356.24 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105048041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).