1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-cyclopentyloxymethanamine

C12H20BrN3O — CID 83228285

IUPAC1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-cyclopentyloxymethanamine
SMILESCCn1nc(C)c(Br)c1CNOC1CCCC1
InChIInChI=1S/C12H20BrN3O/c1-3-16-11(12(13)9(2)15-16)8-14-17-10-6-4-5-7-10/h10,14H,3-8H2,1-2H3
InChIKeyOEUUNLNLLJGJQF-UHFFFAOYSA-N
MW302.22 g/mol
LogP2.94
Rot. Bonds5

About 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-cyclopentyloxymethanamine

1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-cyclopentyloxymethanamine (PubChem CID 83228285) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-cyclopentyloxymethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-cyclopentyloxymethanamine
PubChem CID83228285
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-cyclopentyloxymethanamine
SMILESCCn1nc(C)c(Br)c1CNOC1CCCC1
InChIInChI=1S/C12H20BrN3O/c1-3-16-11(12(13)9(2)15-16)8-14-17-10-6-4-5-7-10/h10,14H,3-8H2,1-2H3
InChIKeyOEUUNLNLLJGJQF-UHFFFAOYSA-N
XLogP2.94
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-5-(cyclopentylmethoxymethyl)-1-ethyl-3-methylpyrazole
CID 66322233
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82724430
N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 114097857
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-cyclohexyl-N-methylpropan-2-amine
CID 104998031
[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-cyclohexylpropan-2-yl]hydrazine
CID 105316689
3-[[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 106132006
N-[[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]ethanamine
CID 81028702
N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(thiolan-2-yl)methanamine
CID 80584498
N-[[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81027565
4-bromo-5-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-1-ethyl-3-methylpyrazole
CID 115927248
N-cyclopentyloxy-1-(2-ethyl-1,2,4-triazol-3-yl)methanamine
CID 83228490
N-(2-bromoethyl)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentanamine
CID 80673564

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-cyclopentyloxymethanamine?
The IUPAC name of 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-cyclopentyloxymethanamine (CID 83228285) is 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-cyclopentyloxymethanamine.
What is the SMILES notation for 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-cyclopentyloxymethanamine?
The canonical SMILES for 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-cyclopentyloxymethanamine is CCn1nc(C)c(Br)c1CNOC1CCCC1.
What is the InChIKey of 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-cyclopentyloxymethanamine?
The InChIKey is OEUUNLNLLJGJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O/c1-3-16-11(12(13)9(2)15-16)8-14-17-10-6-4-5-7-10/h10,14H,3-8H2,1-2H3.
What are the key properties of 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-cyclopentyloxymethanamine?
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-cyclopentyloxymethanamine has a molecular weight of 302.22 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-cyclopentyloxymethanamine is sourced from PubChem (CID 83228285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).