2-(4-bromo-1-methylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine

C9H16BrN3O — CID 114662838

IUPAC2-(4-bromo-1-methylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1c(Br)cnn1C
InChIInChI=1S/C9H16BrN3O/c1-13-9(8(10)7-12-13)3-4-11-5-6-14-2/h7,11H,3-6H2,1-2H3
InChIKeyRCVPYIISKJPTSQ-UHFFFAOYSA-N
MW262.15 g/mol
LogP0.96
Rot. Bonds6

About 2-(4-bromo-1-methylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine

2-(4-bromo-1-methylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine (PubChem CID 114662838) has the molecular formula C9H16BrN3O and a molecular weight of 262.15 g/mol. Its IUPAC name is 2-(4-bromo-1-methylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-1-methylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine
PubChem CID114662838
Molecular FormulaC9H16BrN3O
Molecular Weight262.15 g/mol
Exact Mass261.05
IUPAC Name2-(4-bromo-1-methylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1c(Br)cnn1C
InChIInChI=1S/C9H16BrN3O/c1-13-9(8(10)7-12-13)3-4-11-5-6-14-2/h7,11H,3-6H2,1-2H3
InChIKeyRCVPYIISKJPTSQ-UHFFFAOYSA-N
XLogP0.96
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-1-propylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 114662830
(E)-4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-(2-methoxyethyl)but-3-en-1-amine
CID 114666292
2-(1-ethyl-4-methoxypyrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 114662835
4-bromo-5-(3-bromopropyl)-1-methylpyrazole
CID 114665343
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 114662832
4-(1,5-dimethylpyrazol-4-yl)-N-(2-methoxyethyl)butan-1-amine
CID 79584245
(Z)-4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-(2-methoxyethyl)pent-3-en-1-amine
CID 114666344
3-(4-bromo-1-methylpyrazol-5-yl)-N-(2-methoxyethyl)butan-2-amine
CID 114663035
1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(3-methoxypropyl)-1-methylthiourea
CID 19464873
1-(4-bromo-1-methylpyrazol-5-yl)pentan-3-one
CID 114663538
(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 17024779
N-(2-methoxyethyl)-2-pyrazin-2-ylethanamine
CID 63969445

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-methylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-(4-bromo-1-methylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine (CID 114662838) is 2-(4-bromo-1-methylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-1-methylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-(4-bromo-1-methylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine is COCCNCCc1c(Br)cnn1C.
What is the InChIKey of 2-(4-bromo-1-methylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is RCVPYIISKJPTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN3O/c1-13-9(8(10)7-12-13)3-4-11-5-6-14-2/h7,11H,3-6H2,1-2H3.
What are the key properties of 2-(4-bromo-1-methylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine?
2-(4-bromo-1-methylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 262.15 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-methylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 114662838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).