methyl 1-amino-2-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]cyclopentane-1-carboxylate

C14H23N3O2S — CID 79582997

IUPACmethyl 1-amino-2-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC1CCSc1cc(C)nn1C
InChIInChI=1S/C14H23N3O2S/c1-10-9-12(17(2)16-10)20-8-6-11-5-4-7-14(11,15)13(18)19-3/h9,11H,4-8,15H2,1-3H3
InChIKeyRPRFCHGALPVAKZ-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.88
Rot. Bonds5

About methyl 1-amino-2-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]cyclopentane-1-carboxylate

methyl 1-amino-2-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]cyclopentane-1-carboxylate (PubChem CID 79582997) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is methyl 1-amino-2-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-2-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]cyclopentane-1-carboxylate
PubChem CID79582997
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Namemethyl 1-amino-2-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC1CCSc1cc(C)nn1C
InChIInChI=1S/C14H23N3O2S/c1-10-9-12(17(2)16-10)20-8-6-11-5-4-7-14(11,15)13(18)19-3/h9,11H,4-8,15H2,1-3H3
InChIKeyRPRFCHGALPVAKZ-UHFFFAOYSA-N
XLogP1.88
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-amino-2-[2-(4-methoxyphenyl)sulfanylethyl]cyclopentane-1-carboxylate
CID 79588025
methyl 1-amino-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79571290
methyl 1-amino-2-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate
CID 115383581
methyl 1-amino-2-(2-thiophen-2-ylsulfanylethyl)cyclopentane-1-carboxylate
CID 79587263
methyl 1-amino-2-[2-(3,4-difluorophenyl)sulfanylethyl]cyclopentane-1-carboxylate
CID 79587544
methyl 1-amino-2-[2-(3-methoxyphenyl)sulfanylethyl]cyclopentane-1-carboxylate
CID 79586985
methyl 1-amino-2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79571435
methyl 1-amino-2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxylate
CID 114791644
methyl 4-(2,5-dimethylpyrazol-3-yl)sulfanylbutanoate
CID 62408578
1-amino-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentane-1-carboxylic acid
CID 79582690
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

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-2-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-2-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]cyclopentane-1-carboxylate (CID 79582997) is methyl 1-amino-2-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-2-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-2-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]cyclopentane-1-carboxylate is COC(=O)C1(N)CCCC1CCSc1cc(C)nn1C.
What is the InChIKey of methyl 1-amino-2-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]cyclopentane-1-carboxylate?
The InChIKey is RPRFCHGALPVAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-10-9-12(17(2)16-10)20-8-6-11-5-4-7-14(11,15)13(18)19-3/h9,11H,4-8,15H2,1-3H3.
What are the key properties of methyl 1-amino-2-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]cyclopentane-1-carboxylate?
methyl 1-amino-2-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]cyclopentane-1-carboxylate has a molecular weight of 297.42 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-2-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 79582997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).