1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine

C14H21BrN4 — CID 66406718

IUPAC1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine
SMILESCCc1nn(CC)c(Cn2ccc(CNC)c2)c1Br
InChIInChI=1S/C14H21BrN4/c1-4-12-14(15)13(19(5-2)17-12)10-18-7-6-11(9-18)8-16-3/h6-7,9,16H,4-5,8,10H2,1-3H3
InChIKeyUNOJOQIFQYQARF-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.80
Rot. Bonds6

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

1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine (PubChem CID 66406718) 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-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine
PubChem CID66406718
Molecular FormulaC14H21BrN4
Molecular Weight325.25 g/mol
Exact Mass324.09
IUPAC Name1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine
SMILESCCc1nn(CC)c(Cn2ccc(CNC)c2)c1Br
InChIInChI=1S/C14H21BrN4/c1-4-12-14(15)13(19(5-2)17-12)10-18-7-6-11(9-18)8-16-3/h6-7,9,16H,4-5,8,10H2,1-3H3
InChIKeyUNOJOQIFQYQARF-UHFFFAOYSA-N
XLogP2.80
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrole-3-carbaldehyde
CID 66408142
1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66406726
N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-[4-(chloromethyl)phenyl]methanamine
CID 107233054
1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-2-amine
CID 66406497
1-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66405493
1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 106718245
N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66405511
(1R)-N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-(2-bromophenyl)ethanamine
CID 81378060
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]triazol-4-amine
CID 79543366
1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66404693
2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218806
1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine
CID 79102418

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine (CID 66406718) is 1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine is CCc1nn(CC)c(Cn2ccc(CNC)c2)c1Br.
What is the InChIKey of 1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine?
The InChIKey is UNOJOQIFQYQARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4/c1-4-12-14(15)13(19(5-2)17-12)10-18-7-6-11(9-18)8-16-3/h6-7,9,16H,4-5,8,10H2,1-3H3.
What are the key properties of 1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine?
1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine has a molecular weight of 325.25 g/mol, XLogP of 2.80, 6 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-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66406718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).