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

C13H21N3O2 — CID 79571290

IUPACmethyl 1-amino-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC1CCn1nccc1C
InChIInChI=1S/C13H21N3O2/c1-10-5-8-15-16(10)9-6-11-4-3-7-13(11,14)12(17)18-2/h5,8,11H,3-4,6-7,9,14H2,1-2H3
InChIKeyVIUXYIABCIAMQJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.25
Rot. Bonds4

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

methyl 1-amino-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate (PubChem CID 79571290) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 1-amino-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate
PubChem CID79571290
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Namemethyl 1-amino-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC1CCn1nccc1C
InChIInChI=1S/C13H21N3O2/c1-10-5-8-15-16(10)9-6-11-4-3-7-13(11,14)12(17)18-2/h5,8,11H,3-4,6-7,9,14H2,1-2H3
InChIKeyVIUXYIABCIAMQJ-UHFFFAOYSA-N
XLogP1.25
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-amino-2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79571435
1-(aminomethyl)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentan-1-ol
CID 79586964
[1-(methylamino)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentyl]methanol
CID 79581366
methyl 1-amino-2-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]cyclopentane-1-carboxylate
CID 79582997
ethyl 1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79571488
methyl 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-aminocyclopentane-1-carboxylate
CID 115561597
1-(cyclopropylamino)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carbonitrile
CID 79573266
methyl 1-amino-2-[2-(4-methoxyphenyl)sulfanylethyl]cyclopentane-1-carboxylate
CID 79588025
2-[2-(5-methylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79572695
methyl 1-amino-2-(2-phenylethyl)cyclohexane-1-carboxylate
CID 67920649
methyl 1-amino-2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79563707
methyl 1-amino-2-[2-(3,4-difluorophenyl)sulfanylethyl]cyclopentane-1-carboxylate
CID 79587544

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate (CID 79571290) is methyl 1-amino-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate is COC(=O)C1(N)CCCC1CCn1nccc1C.
What is the InChIKey of methyl 1-amino-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate?
The InChIKey is VIUXYIABCIAMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-5-8-15-16(10)9-6-11-4-3-7-13(11,14)12(17)18-2/h5,8,11H,3-4,6-7,9,14H2,1-2H3.
What are the key properties of methyl 1-amino-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate?
methyl 1-amino-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 1.25, 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-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 79571290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).