methyl 1-amino-2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate

C13H20ClN3O2 — CID 79571435

IUPACmethyl 1-amino-2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC1CCn1ncc(Cl)c1C
InChIInChI=1S/C13H20ClN3O2/c1-9-11(14)8-16-17(9)7-5-10-4-3-6-13(10,15)12(18)19-2/h8,10H,3-7,15H2,1-2H3
InChIKeyVORVZTFYUBJMMM-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.91
Rot. Bonds4

About methyl 1-amino-2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate

methyl 1-amino-2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate (PubChem CID 79571435) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is methyl 1-amino-2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate
PubChem CID79571435
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Namemethyl 1-amino-2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC1CCn1ncc(Cl)c1C
InChIInChI=1S/C13H20ClN3O2/c1-9-11(14)8-16-17(9)7-5-10-4-3-6-13(10,15)12(18)19-2/h8,10H,3-7,15H2,1-2H3
InChIKeyVORVZTFYUBJMMM-UHFFFAOYSA-N
XLogP1.91
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.91
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-(4-chloro-5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate (CID 79571435) is methyl 1-amino-2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate is COC(=O)C1(N)CCCC1CCn1ncc(Cl)c1C.
What is the InChIKey of methyl 1-amino-2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate?
The InChIKey is VORVZTFYUBJMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-9-11(14)8-16-17(9)7-5-10-4-3-6-13(10,15)12(18)19-2/h8,10H,3-7,15H2,1-2H3.
What are the key properties of methyl 1-amino-2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate?
methyl 1-amino-2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate has a molecular weight of 285.77 g/mol, XLogP of 1.91, 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-(4-chloro-5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 79571435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).