(Z)-4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-(2-methoxyethyl)pent-3-en-1-amine

C14H24BrN3O2 — CID 114666344

IUPAC(Z)-4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-(2-methoxyethyl)pent-3-en-1-amine
SMILESCOCCNCC/C=C(/C)c1c(Br)cnn1CCOC
InChIInChI=1S/C14H24BrN3O2/c1-12(5-4-6-16-7-9-19-2)14-13(15)11-17-18(14)8-10-20-3/h5,11,16H,4,6-10H2,1-3H3/b12-5-
InChIKeyJIRKZYCMIOBPPZ-XGICHPGQSA-N
MW346.27 g/mol
LogP2.32
Rot. Bonds10

About (Z)-4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-(2-methoxyethyl)pent-3-en-1-amine

(Z)-4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-(2-methoxyethyl)pent-3-en-1-amine (PubChem CID 114666344) has the molecular formula C14H24BrN3O2 and a molecular weight of 346.27 g/mol. Its IUPAC name is (Z)-4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-(2-methoxyethyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-(2-methoxyethyl)pent-3-en-1-amine
PubChem CID114666344
Molecular FormulaC14H24BrN3O2
Molecular Weight346.27 g/mol
Exact Mass345.11
IUPAC Name(Z)-4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-(2-methoxyethyl)pent-3-en-1-amine
SMILESCOCCNCC/C=C(/C)c1c(Br)cnn1CCOC
InChIInChI=1S/C14H24BrN3O2/c1-12(5-4-6-16-7-9-19-2)14-13(15)11-17-18(14)8-10-20-3/h5,11,16H,4,6-10H2,1-3H3/b12-5-
InChIKeyJIRKZYCMIOBPPZ-XGICHPGQSA-N
XLogP2.32
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-(2-methoxyethyl)pent-3-en-1-amine?
The IUPAC name of (Z)-4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-(2-methoxyethyl)pent-3-en-1-amine (CID 114666344) is (Z)-4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-(2-methoxyethyl)pent-3-en-1-amine.
What is the SMILES notation for (Z)-4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-(2-methoxyethyl)pent-3-en-1-amine?
The canonical SMILES for (Z)-4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-(2-methoxyethyl)pent-3-en-1-amine is COCCNCC/C=C(/C)c1c(Br)cnn1CCOC.
What is the InChIKey of (Z)-4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-(2-methoxyethyl)pent-3-en-1-amine?
The InChIKey is JIRKZYCMIOBPPZ-XGICHPGQSA-N. The full InChI is InChI=1S/C14H24BrN3O2/c1-12(5-4-6-16-7-9-19-2)14-13(15)11-17-18(14)8-10-20-3/h5,11,16H,4,6-10H2,1-3H3/b12-5-.
What are the key properties of (Z)-4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-(2-methoxyethyl)pent-3-en-1-amine?
(Z)-4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-(2-methoxyethyl)pent-3-en-1-amine has a molecular weight of 346.27 g/mol, XLogP of 2.32, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-(2-methoxyethyl)pent-3-en-1-amine is sourced from PubChem (CID 114666344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).