3-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]cyclopentan-1-amine

C12H20BrN3O — CID 79465265

IUPAC3-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]cyclopentan-1-amine
SMILESCCc1nn(C)c(COC2CCC(N)C2)c1Br
InChIInChI=1S/C12H20BrN3O/c1-3-10-12(13)11(16(2)15-10)7-17-9-5-4-8(14)6-9/h8-9H,3-7,14H2,1-2H3
InChIKeyIZHDMYTZSUSKTM-UHFFFAOYSA-N
MW302.22 g/mol
LogP2.14
Rot. Bonds4

About 3-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]cyclopentan-1-amine

3-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]cyclopentan-1-amine (PubChem CID 79465265) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is 3-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]cyclopentan-1-amine
PubChem CID79465265
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name3-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]cyclopentan-1-amine
SMILESCCc1nn(C)c(COC2CCC(N)C2)c1Br
InChIInChI=1S/C12H20BrN3O/c1-3-10-12(13)11(16(2)15-10)7-17-9-5-4-8(14)6-9/h8-9H,3-7,14H2,1-2H3
InChIKeyIZHDMYTZSUSKTM-UHFFFAOYSA-N
XLogP2.14
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromoethoxy)-1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidine
CID 82690876
4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole
CID 81223578
1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-ethoxycyclobutan-1-ol
CID 106823266
[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methanamine
CID 81012327
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylcyclohexyl)ethyl]hydrazine
CID 105231495
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-cycloheptylpropan-2-ol
CID 115810644
3-bromo-8-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octane
CID 80669499
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116580904
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-4-ethoxybutan-2-amine
CID 105157635
3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopropyl-2-methylpropan-1-amine
CID 83148626
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methylcyclopentan-1-amine
CID 114545716
3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79092896

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]cyclopentan-1-amine?
The IUPAC name of 3-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]cyclopentan-1-amine (CID 79465265) is 3-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]cyclopentan-1-amine.
What is the SMILES notation for 3-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]cyclopentan-1-amine?
The canonical SMILES for 3-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]cyclopentan-1-amine is CCc1nn(C)c(COC2CCC(N)C2)c1Br.
What is the InChIKey of 3-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]cyclopentan-1-amine?
The InChIKey is IZHDMYTZSUSKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O/c1-3-10-12(13)11(16(2)15-10)7-17-9-5-4-8(14)6-9/h8-9H,3-7,14H2,1-2H3.
What are the key properties of 3-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]cyclopentan-1-amine?
3-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]cyclopentan-1-amine has a molecular weight of 302.22 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]cyclopentan-1-amine is sourced from PubChem (CID 79465265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).