1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)-N-ethylpropan-2-amine

C17H28BrN3 — CID 116661823

IUPAC1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)-N-ethylpropan-2-amine
SMILESCCNC(CC1=CCCCC1)Cc1c(Br)c(C)nn1CC
InChIInChI=1S/C17H28BrN3/c1-4-19-15(11-14-9-7-6-8-10-14)12-16-17(18)13(3)20-21(16)5-2/h9,15,19H,4-8,10-12H2,1-3H3
InChIKeyAVLVSQWXBLCZJH-UHFFFAOYSA-N
MW354.34 g/mol
LogP4.39
Rot. Bonds7

About 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)-N-ethylpropan-2-amine

1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)-N-ethylpropan-2-amine (PubChem CID 116661823) has the molecular formula C17H28BrN3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)-N-ethylpropan-2-amine
PubChem CID116661823
Molecular FormulaC17H28BrN3
Molecular Weight354.34 g/mol
Exact Mass353.15
IUPAC Name1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)-N-ethylpropan-2-amine
SMILESCCNC(CC1=CCCCC1)Cc1c(Br)c(C)nn1CC
InChIInChI=1S/C17H28BrN3/c1-4-19-15(11-14-9-7-6-8-10-14)12-16-17(18)13(3)20-21(16)5-2/h9,15,19H,4-8,10-12H2,1-3H3
InChIKeyAVLVSQWXBLCZJH-UHFFFAOYSA-N
XLogP4.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)-N-ethylpropan-2-amine
CID 116661822
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(cyclohexen-1-yl)-N-propylpropan-2-amine
CID 116661958
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine
CID 116661541
4-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346602
1-(cyclohexen-1-yl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylpropan-2-amine
CID 116661749
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-(cyclohexen-1-yl)propan-2-ol
CID 116660165
1-(cyclohexen-1-yl)-N-ethyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 116661714
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine
CID 104998298
1-(cyclohexen-1-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 116661927
1-(cyclohexen-1-yl)-N-ethyl-4-methylhexan-2-amine
CID 116661870
[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine
CID 105211273
1-(cyclohexen-1-yl)-N-ethylundecan-2-amine
CID 116661766

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)-N-ethylpropan-2-amine (CID 116661823) is 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)-N-ethylpropan-2-amine is CCNC(CC1=CCCCC1)Cc1c(Br)c(C)nn1CC.
What is the InChIKey of 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)-N-ethylpropan-2-amine?
The InChIKey is AVLVSQWXBLCZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrN3/c1-4-19-15(11-14-9-7-6-8-10-14)12-16-17(18)13(3)20-21(16)5-2/h9,15,19H,4-8,10-12H2,1-3H3.
What are the key properties of 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)-N-ethylpropan-2-amine?
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)-N-ethylpropan-2-amine has a molecular weight of 354.34 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)-N-ethylpropan-2-amine is sourced from PubChem (CID 116661823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).