2-(4-bromo-5-ethoxypyrazol-1-yl)-N,N-dimethylethanamine

C9H16BrN3O — CID 170946236

IUPAC2-(4-bromo-5-ethoxypyrazol-1-yl)-N,N-dimethylethanamine
SMILESCCOc1c(Br)cnn1CCN(C)C
InChIInChI=1S/C9H16BrN3O/c1-4-14-9-8(10)7-11-13(9)6-5-12(2)3/h7H,4-6H2,1-3H3
InChIKeyKJVXBXRMUZSMSB-UHFFFAOYSA-N
MW262.15 g/mol
LogP1.61
Rot. Bonds5

About 2-(4-bromo-5-ethoxypyrazol-1-yl)-N,N-dimethylethanamine

2-(4-bromo-5-ethoxypyrazol-1-yl)-N,N-dimethylethanamine (PubChem CID 170946236) has the molecular formula C9H16BrN3O and a molecular weight of 262.15 g/mol. Its IUPAC name is 2-(4-bromo-5-ethoxypyrazol-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4-bromo-5-ethoxypyrazol-1-yl)-N,N-dimethylethanamine
PubChem CID170946236
Molecular FormulaC9H16BrN3O
Molecular Weight262.15 g/mol
Exact Mass261.05
IUPAC Name2-(4-bromo-5-ethoxypyrazol-1-yl)-N,N-dimethylethanamine
SMILESCCOc1c(Br)cnn1CCN(C)C
InChIInChI=1S/C9H16BrN3O/c1-4-14-9-8(10)7-11-13(9)6-5-12(2)3/h7H,4-6H2,1-3H3
InChIKeyKJVXBXRMUZSMSB-UHFFFAOYSA-N
XLogP1.61
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-bromo-5-(methylaminomethyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 114652050
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxybutan-1-ol
CID 114645586
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-ethylbutan-1-amine
CID 114661659
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-dimethoxy-N-methylethanamine
CID 114657541
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethyl-2-methoxy-N-methylbutan-1-amine
CID 114661716
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-bromophenyl)methanol
CID 114634904
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-ol
CID 114635495
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N,2-dimethylpropan-1-amine
CID 114647581
2-[[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-hydrazinylmethyl]aniline
CID 105223775
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105130436
2-[4-bromo-5-[methylamino-(4-methylphenyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114646966
2-[4-bromo-5-[(2-bromophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105208582

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-ethoxypyrazol-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(4-bromo-5-ethoxypyrazol-1-yl)-N,N-dimethylethanamine (CID 170946236) is 2-(4-bromo-5-ethoxypyrazol-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4-bromo-5-ethoxypyrazol-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4-bromo-5-ethoxypyrazol-1-yl)-N,N-dimethylethanamine is CCOc1c(Br)cnn1CCN(C)C.
What is the InChIKey of 2-(4-bromo-5-ethoxypyrazol-1-yl)-N,N-dimethylethanamine?
The InChIKey is KJVXBXRMUZSMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN3O/c1-4-14-9-8(10)7-11-13(9)6-5-12(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 2-(4-bromo-5-ethoxypyrazol-1-yl)-N,N-dimethylethanamine?
2-(4-bromo-5-ethoxypyrazol-1-yl)-N,N-dimethylethanamine has a molecular weight of 262.15 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-ethoxypyrazol-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 170946236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).