1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine

C14H17BrFN3 — CID 114648284

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine
SMILESCCn1ncc(Br)c1C(Cc1cccc(F)c1)NC
InChIInChI=1S/C14H17BrFN3/c1-3-19-14(12(15)9-18-19)13(17-2)8-10-5-4-6-11(16)7-10/h4-7,9,13,17H,3,8H2,1-2H3
InChIKeyCFVYDKAGXLNLSW-UHFFFAOYSA-N
MW326.21 g/mol
LogP3.31
Rot. Bonds5

About 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine

1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine (PubChem CID 114648284) has the molecular formula C14H17BrFN3 and a molecular weight of 326.21 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine
PubChem CID114648284
Molecular FormulaC14H17BrFN3
Molecular Weight326.21 g/mol
Exact Mass325.06
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine
SMILESCCn1ncc(Br)c1C(Cc1cccc(F)c1)NC
InChIInChI=1S/C14H17BrFN3/c1-3-19-14(12(15)9-18-19)13(17-2)8-10-5-4-6-11(16)7-10/h4-7,9,13,17H,3,8H2,1-2H3
InChIKeyCFVYDKAGXLNLSW-UHFFFAOYSA-N
XLogP3.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 114649534
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 114648950
2-(3-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine
CID 114648297
1-(4-bromo-1-propylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 114648363
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-phenylethanamine
CID 114647076
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine
CID 114648285
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2-bromophenyl)sulfanyl-N-methylethanamine
CID 114656321
1-(2,4-dibromophenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 107945130
1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 114648364
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-fluorophenyl)ethanamine
CID 114648281
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenoxy)-N-methylethanamine
CID 105182828
N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)ethanamine
CID 63977234

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine (CID 114648284) is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine is CCn1ncc(Br)c1C(Cc1cccc(F)c1)NC.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine?
The InChIKey is CFVYDKAGXLNLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3/c1-3-19-14(12(15)9-18-19)13(17-2)8-10-5-4-6-11(16)7-10/h4-7,9,13,17H,3,8H2,1-2H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine?
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine has a molecular weight of 326.21 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 114648284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).