methyl 2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]acetate

C15H24BrN3O2 — CID 115536721

IUPACmethyl 2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]acetate
SMILESCCc1nn(C)c(CN(CC(=O)OC)C2CCCC2)c1Br
InChIInChI=1S/C15H24BrN3O2/c1-4-12-15(16)13(18(2)17-12)9-19(10-14(20)21-3)11-7-5-6-8-11/h11H,4-10H2,1-3H3
InChIKeyMCJBXCYLYHJDLK-UHFFFAOYSA-N
MW358.28 g/mol
LogP2.66
Rot. Bonds6

About methyl 2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]acetate

methyl 2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]acetate (PubChem CID 115536721) has the molecular formula C15H24BrN3O2 and a molecular weight of 358.28 g/mol. Its IUPAC name is methyl 2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]acetate
PubChem CID115536721
Molecular FormulaC15H24BrN3O2
Molecular Weight358.28 g/mol
Exact Mass357.11
IUPAC Namemethyl 2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]acetate
SMILESCCc1nn(C)c(CN(CC(=O)OC)C2CCCC2)c1Br
InChIInChI=1S/C15H24BrN3O2/c1-4-12-15(16)13(18(2)17-12)9-19(10-14(20)21-3)11-7-5-6-8-11/h11H,4-10H2,1-3H3
InChIKeyMCJBXCYLYHJDLK-UHFFFAOYSA-N
XLogP2.66
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]acetate?
The IUPAC name of methyl 2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]acetate (CID 115536721) is methyl 2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]acetate.
What is the SMILES notation for methyl 2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]acetate?
The canonical SMILES for methyl 2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]acetate is CCc1nn(C)c(CN(CC(=O)OC)C2CCCC2)c1Br.
What is the InChIKey of methyl 2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]acetate?
The InChIKey is MCJBXCYLYHJDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O2/c1-4-12-15(16)13(18(2)17-12)9-19(10-14(20)21-3)11-7-5-6-8-11/h11H,4-10H2,1-3H3.
What are the key properties of methyl 2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]acetate?
methyl 2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]acetate has a molecular weight of 358.28 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]acetate is sourced from PubChem (CID 115536721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).