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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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).