1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine

C14H17BrFN3O — CID 105039950

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCCn1ncc(Br)c1C(NC)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H17BrFN3O/c1-4-19-14(10(15)8-18-19)13(17-2)9-5-6-12(20-3)11(16)7-9/h5-8,13,17H,4H2,1-3H3
InChIKeyMBEATJQCVHUJAR-UHFFFAOYSA-N
MW342.21 g/mol
LogP3.12
Rot. Bonds5

About 1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine

1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 105039950) has the molecular formula C14H17BrFN3O and a molecular weight of 342.21 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
PubChem CID105039950
Molecular FormulaC14H17BrFN3O
Molecular Weight342.21 g/mol
Exact Mass341.05
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCCn1ncc(Br)c1C(NC)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H17BrFN3O/c1-4-19-14(10(15)8-18-19)13(17-2)9-5-6-12(20-3)11(16)7-9/h5-8,13,17H,4H2,1-3H3
InChIKeyMBEATJQCVHUJAR-UHFFFAOYSA-N
XLogP3.12
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.21
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-1-(4-bromo-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105041426
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 114659130
1-(3-bromo-4-chlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 114659732
N-[(4-bromo-3-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
CID 105048041
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-bromophenyl)-N-methylmethanamine
CID 114647377
1-(3-bromo-4-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114660093
N-[(4-bromo-1-methylpyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 105053912
1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105054182
(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol
CID 114636339
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(5-bromo-2-fluorophenyl)-N-methylmethanamine
CID 114894782
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(2-bromo-5-methoxyphenyl)-N-methylmethanamine
CID 105183041
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-pyridazin-4-ylmethanamine
CID 105183012

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine (CID 105039950) is 1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine is CCn1ncc(Br)c1C(NC)c1ccc(OC)c(F)c1.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is MBEATJQCVHUJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3O/c1-4-19-14(10(15)8-18-19)13(17-2)9-5-6-12(20-3)11(16)7-9/h5-8,13,17H,4H2,1-3H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 342.21 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 105039950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).