1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine

C14H22BrN5 — CID 105182837

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine
SMILESCCc1cc(C(NC)c2c(Br)cnn2CC)n(CC)n1
InChIInChI=1S/C14H22BrN5/c1-5-10-8-12(19(6-2)18-10)13(16-4)14-11(15)9-17-20(14)7-3/h8-9,13,16H,5-7H2,1-4H3
InChIKeyJIQLDZBBWMLQBU-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.75
Rot. Bonds6

About 1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine

1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine (PubChem CID 105182837) has the molecular formula C14H22BrN5 and a molecular weight of 340.27 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine
PubChem CID105182837
Molecular FormulaC14H22BrN5
Molecular Weight340.27 g/mol
Exact Mass339.11
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine
SMILESCCc1cc(C(NC)c2c(Br)cnn2CC)n(CC)n1
InChIInChI=1S/C14H22BrN5/c1-5-10-8-12(19(6-2)18-10)13(16-4)14-11(15)9-17-20(14)7-3/h8-9,13,16H,5-7H2,1-4H3
InChIKeyJIQLDZBBWMLQBU-UHFFFAOYSA-N
XLogP2.75
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine
CID 105336990
1-(4-chloro-1-methylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine
CID 105185920
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-3-yl)-N-methylmethanamine
CID 114219349
(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
CID 105127642
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-bromophenyl)-N-methylmethanamine
CID 114647377
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 114659130
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 105040126
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-pyridazin-4-ylmethanamine
CID 105183012
1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 105149904
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(2,6-dichlorophenyl)-N-methylmethanamine
CID 105040192
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(5-bromo-2-fluorophenyl)-N-methylmethanamine
CID 114894782
1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105182099

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine (CID 105182837) is 1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine is CCc1cc(C(NC)c2c(Br)cnn2CC)n(CC)n1.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine?
The InChIKey is JIQLDZBBWMLQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN5/c1-5-10-8-12(19(6-2)18-10)13(16-4)14-11(15)9-17-20(14)7-3/h8-9,13,16H,5-7H2,1-4H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine?
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine has a molecular weight of 340.27 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 105182837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).