1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine

C14H18BrN3 — CID 82968056

IUPAC1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Br)ccc1-n1ccc(C)n1
InChIInChI=1S/C14H18BrN3/c1-4-16-11(3)13-9-12(15)5-6-14(13)18-8-7-10(2)17-18/h5-9,11,16H,4H2,1-3H3
InChIKeyHTCBWIFQIDMDOK-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.61
Rot. Bonds4

About 1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine

1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine (PubChem CID 82968056) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine
PubChem CID82968056
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Br)ccc1-n1ccc(C)n1
InChIInChI=1S/C14H18BrN3/c1-4-16-11(3)13-9-12(15)5-6-14(13)18-8-7-10(2)17-18/h5-9,11,16H,4H2,1-3H3
InChIKeyHTCBWIFQIDMDOK-UHFFFAOYSA-N
XLogP3.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]ethanamine
CID 82967919
1-[5-bromo-2-(4-chloro-3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine
CID 82968629
N-ethyl-1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine
CID 55078546
1-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methylpyrazole-3-carboxamide
CID 82953548
1-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]-N-ethylethanamine
CID 82972475
1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]propan-2-amine
CID 114061991
5-bromo-2-(3-methylpyrazol-1-yl)aniline
CID 62492609
3-methyl-1-(2-pentan-3-yl-4-propylphenyl)pyrazole
CID 126760476
1-[2-(benzotriazol-1-yl)-5-bromophenyl]-N-ethylethanamine
CID 82953722
1-[5-bromo-2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-ethylethanamine
CID 82971422
N-[1-(5-bromo-2-imidazol-1-ylphenyl)ethyl]propan-1-amine
CID 82968272
1-[5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine
CID 104959026

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine (CID 82968056) is 1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine is CCNC(C)c1cc(Br)ccc1-n1ccc(C)n1.
What is the InChIKey of 1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine?
The InChIKey is HTCBWIFQIDMDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-4-16-11(3)13-9-12(15)5-6-14(13)18-8-7-10(2)17-18/h5-9,11,16H,4H2,1-3H3.
What are the key properties of 1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine?
1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine has a molecular weight of 308.22 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 82968056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).