3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-amine

C14H24BrN3O — CID 116721888

IUPAC3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-amine
SMILESCCc1nn(CC)c(CC(N)C(OC)C2CC2)c1Br
InChIInChI=1S/C14H24BrN3O/c1-4-11-13(15)12(18(5-2)17-11)8-10(16)14(19-3)9-6-7-9/h9-10,14H,4-8,16H2,1-3H3
InChIKeyZGHHMIZUSJJLHM-UHFFFAOYSA-N
MW330.27 g/mol
LogP2.52
Rot. Bonds7

About 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-amine

3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-amine (PubChem CID 116721888) has the molecular formula C14H24BrN3O and a molecular weight of 330.27 g/mol. Its IUPAC name is 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-amine.

Molecular Properties

Compound Name3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-amine
PubChem CID116721888
Molecular FormulaC14H24BrN3O
Molecular Weight330.27 g/mol
Exact Mass329.11
IUPAC Name3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-amine
SMILESCCc1nn(CC)c(CC(N)C(OC)C2CC2)c1Br
InChIInChI=1S/C14H24BrN3O/c1-4-11-13(15)12(18(5-2)17-11)8-10(16)14(19-3)9-6-7-9/h9-10,14H,4-8,16H2,1-3H3
InChIKeyZGHHMIZUSJJLHM-UHFFFAOYSA-N
XLogP2.52
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712576
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxy-3-methylbutan-2-amine
CID 116726183
[3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxypropan-2-yl]hydrazine
CID 105246129
[1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine
CID 105272187
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116713159
[1-(4-bromo-1,3-diethylpyrazol-5-yl)-5-methoxyhexan-2-yl]hydrazine
CID 105318872
1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 105002348
3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-propylpropan-2-amine
CID 79488993
4-bromo-5-[2-(chloromethyl)butyl]-1,3-diethylpyrazole
CID 66033443
3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-diethoxypropan-2-ol
CID 79496348
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methoxybutan-2-amine
CID 79616432
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-ol
CID 103986394

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-amine?
The IUPAC name of 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-amine (CID 116721888) is 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-amine.
What is the SMILES notation for 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-amine?
The canonical SMILES for 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-amine is CCc1nn(CC)c(CC(N)C(OC)C2CC2)c1Br.
What is the InChIKey of 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-amine?
The InChIKey is ZGHHMIZUSJJLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O/c1-4-11-13(15)12(18(5-2)17-11)8-10(16)14(19-3)9-6-7-9/h9-10,14H,4-8,16H2,1-3H3.
What are the key properties of 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-amine?
3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-amine has a molecular weight of 330.27 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-amine is sourced from PubChem (CID 116721888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).