3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine

C14H26BrN3O — CID 114664544

IUPAC3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCOCCn1ncc(Br)c1CC(C)CNCC(C)C
InChIInChI=1S/C14H26BrN3O/c1-11(2)8-16-9-12(3)7-14-13(15)10-17-18(14)5-6-19-4/h10-12,16H,5-9H2,1-4H3
InChIKeyVTWNAYSSVUJLER-UHFFFAOYSA-N
MW332.29 g/mol
LogP2.72
Rot. Bonds9

About 3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine

3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 114664544) has the molecular formula C14H26BrN3O and a molecular weight of 332.29 g/mol. Its IUPAC name is 3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
PubChem CID114664544
Molecular FormulaC14H26BrN3O
Molecular Weight332.29 g/mol
Exact Mass331.13
IUPAC Name3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCOCCn1ncc(Br)c1CC(C)CNCC(C)C
InChIInChI=1S/C14H26BrN3O/c1-11(2)8-16-9-12(3)7-14-13(15)10-17-18(14)5-6-19-4/h10-12,16H,5-9H2,1-4H3
InChIKeyVTWNAYSSVUJLER-UHFFFAOYSA-N
XLogP2.72
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropyl]cyclopropanamine
CID 114664518
3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-2-methylpropan-1-amine
CID 114664479
4-bromo-5-(3-bromobutyl)-1-(2-methoxyethyl)pyrazole
CID 114665364
3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 114664539
3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-amine
CID 114663770
3-(4-bromo-1-methylpyrazol-5-yl)-N,2-dimethylpropan-1-amine
CID 114664458
[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-methylpentyl]hydrazine
CID 105207669
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-3-ol
CID 114664967
3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-(2-methylpropyl)butan-1-amine
CID 114666792
3-(4-bromo-1-ethylpyrazol-5-yl)-N-tert-butyl-2-methylpropan-1-amine
CID 114664528
3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylbutan-1-amine
CID 114666706
N-[2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 114662828

Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine (CID 114664544) is 3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine is COCCn1ncc(Br)c1CC(C)CNCC(C)C.
What is the InChIKey of 3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is VTWNAYSSVUJLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrN3O/c1-11(2)8-16-9-12(3)7-14-13(15)10-17-18(14)5-6-19-4/h10-12,16H,5-9H2,1-4H3.
What are the key properties of 3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 332.29 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 114664544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).