methyl 1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate

C15H25N3O2 — CID 79571630

IUPACmethyl 1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC1CCn1nc(C)c(C)c1C
InChIInChI=1S/C15H25N3O2/c1-10-11(2)17-18(12(10)3)9-7-13-6-5-8-15(13,16)14(19)20-4/h13H,5-9,16H2,1-4H3
InChIKeySINGEYCQAAYZLE-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.87
Rot. Bonds4

About methyl 1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate

methyl 1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate (PubChem CID 79571630) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is methyl 1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate
PubChem CID79571630
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Namemethyl 1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC1CCn1nc(C)c(C)c1C
InChIInChI=1S/C15H25N3O2/c1-10-11(2)17-18(12(10)3)9-7-13-6-5-8-15(13,16)14(19)20-4/h13H,5-9,16H2,1-4H3
InChIKeySINGEYCQAAYZLE-UHFFFAOYSA-N
XLogP1.87
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate (CID 79571630) is methyl 1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate is COC(=O)C1(N)CCCC1CCn1nc(C)c(C)c1C.
What is the InChIKey of methyl 1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate?
The InChIKey is SINGEYCQAAYZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10-11(2)17-18(12(10)3)9-7-13-6-5-8-15(13,16)14(19)20-4/h13H,5-9,16H2,1-4H3.
What are the key properties of methyl 1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate?
methyl 1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-2-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 79571630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).