1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine

C14H21BrN4 — CID 79102418

IUPAC1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine
SMILESCCc1nn(CC)c(Cn2cccc2C(C)N)c1Br
InChIInChI=1S/C14H21BrN4/c1-4-11-14(15)13(19(5-2)17-11)9-18-8-6-7-12(18)10(3)16/h6-8,10H,4-5,9,16H2,1-3H3
InChIKeyHHSPKOXPQGBXCA-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.10
Rot. Bonds5

About 1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine

1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine (PubChem CID 79102418) has the molecular formula C14H21BrN4 and a molecular weight of 325.25 g/mol. Its IUPAC name is 1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine
PubChem CID79102418
Molecular FormulaC14H21BrN4
Molecular Weight325.25 g/mol
Exact Mass324.09
IUPAC Name1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine
SMILESCCc1nn(CC)c(Cn2cccc2C(C)N)c1Br
InChIInChI=1S/C14H21BrN4/c1-4-11-14(15)13(19(5-2)17-11)9-18-8-6-7-12(18)10(3)16/h6-8,10H,4-5,9,16H2,1-3H3
InChIKeyHHSPKOXPQGBXCA-UHFFFAOYSA-N
XLogP3.10
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]triazol-4-yl]ethanamine
CID 114419561
1-[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]propan-2-amine
CID 66406268
1-[1-[(2-bromophenyl)methyl]pyrrol-2-yl]ethanamine
CID 79103009
1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine
CID 79103011
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrole-3-carbaldehyde
CID 66408142
(1R)-N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-(2-bromophenyl)ethanamine
CID 81378060
4-amino-1-(4-bromo-1,3-diethylpyrazol-5-yl)pentan-2-one
CID 116555845
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]triazol-4-amine
CID 79543366
1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66406718
3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-fluoro-2-phenylpropan-1-amine
CID 115918105
3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-amine
CID 79430400
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethanamine
CID 105002359

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine?
The IUPAC name of 1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine (CID 79102418) is 1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine?
The canonical SMILES for 1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine is CCc1nn(CC)c(Cn2cccc2C(C)N)c1Br.
What is the InChIKey of 1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine?
The InChIKey is HHSPKOXPQGBXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4/c1-4-11-14(15)13(19(5-2)17-11)9-18-8-6-7-12(18)10(3)16/h6-8,10H,4-5,9,16H2,1-3H3.
What are the key properties of 1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine?
1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine has a molecular weight of 325.25 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine is sourced from PubChem (CID 79102418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).