1-bromo-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine

C11H19Br2N3 — CID 104555001

IUPAC1-bromo-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine
SMILESCCn1nc(C)c(Br)c1CN(C)C(C)CBr
InChIInChI=1S/C11H19Br2N3/c1-5-16-10(11(13)9(3)14-16)7-15(4)8(2)6-12/h8H,5-7H2,1-4H3
InChIKeyNEXKFMRAAHMPNT-UHFFFAOYSA-N
MW353.10 g/mol
LogP3.19
Rot. Bonds5

About 1-bromo-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine

1-bromo-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine (PubChem CID 104555001) has the molecular formula C11H19Br2N3 and a molecular weight of 353.10 g/mol. Its IUPAC name is 1-bromo-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-bromo-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine
PubChem CID104555001
Molecular FormulaC11H19Br2N3
Molecular Weight353.10 g/mol
Exact Mass350.99
IUPAC Name1-bromo-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine
SMILESCCn1nc(C)c(Br)c1CN(C)C(C)CBr
InChIInChI=1S/C11H19Br2N3/c1-5-16-10(11(13)9(3)14-16)7-15(4)8(2)6-12/h8H,5-7H2,1-4H3
InChIKeyNEXKFMRAAHMPNT-UHFFFAOYSA-N
XLogP3.19
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.10
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-bromo-5-[3-bromo-2-(bromomethyl)propyl]-1-ethyl-3-methylpyrazole
CID 79453099
N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112663836
N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-ethoxy-N-methylethanamine
CID 81062245
3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2,4-dimethylpentan-3-ol
CID 112743442
4-bromo-1,5-diethyl-3-methylpyrazole;(6S)-3,6-dimethyloctane
CID 142228574
N-(2-bromoethyl)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentanamine
CID 80673564
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]propane-1,3-diol
CID 79450163
4-bromo-5-[2-(chloromethyl)-4-methylpentyl]-1-ethyl-3-methylpyrazole
CID 66033406
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-propylhexan-2-amine
CID 104998240
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methoxy-N-methylbutan-2-amine
CID 79616805
4-bromo-1-ethyl-3-methyl-5-(2-methylbutylsulfanylmethyl)pyrazole
CID 107754288
4-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-tert-butyl-3-methylbutan-1-amine
CID 81018972

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine?
The IUPAC name of 1-bromo-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine (CID 104555001) is 1-bromo-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-bromo-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine?
The canonical SMILES for 1-bromo-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine is CCn1nc(C)c(Br)c1CN(C)C(C)CBr.
What is the InChIKey of 1-bromo-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine?
The InChIKey is NEXKFMRAAHMPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Br2N3/c1-5-16-10(11(13)9(3)14-16)7-15(4)8(2)6-12/h8H,5-7H2,1-4H3.
What are the key properties of 1-bromo-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine?
1-bromo-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine has a molecular weight of 353.10 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 104555001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).