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

C15H24ClN3O2 — CID 79568445

IUPACethyl 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCCC1CCn1ncc(Cl)c1C
InChIInChI=1S/C15H24ClN3O2/c1-4-21-14(20)15(17-3)8-5-6-12(15)7-9-19-11(2)13(16)10-18-19/h10,12,17H,4-9H2,1-3H3
InChIKeyXANDFKIHCUWXMY-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.56
Rot. Bonds6

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

ethyl 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate (PubChem CID 79568445) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is ethyl 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
PubChem CID79568445
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Nameethyl 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCCC1CCn1ncc(Cl)c1C
InChIInChI=1S/C15H24ClN3O2/c1-4-21-14(20)15(17-3)8-5-6-12(15)7-9-19-11(2)13(16)10-18-19/h10,12,17H,4-9H2,1-3H3
InChIKeyXANDFKIHCUWXMY-UHFFFAOYSA-N
XLogP2.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79571861
methyl 1-amino-2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79571435
ethyl 1-(methylamino)-2-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate
CID 104603859
[2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol
CID 79581749
2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79572696
ethyl 1-(methylamino)-2-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79577573
ethyl 1-(methylamino)-2-(2-propoxyethyl)cyclopentane-1-carboxylate
CID 79588199
ethyl 1-(methylamino)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylate
CID 79571539
methyl 2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79571778
ethyl 1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxylate
CID 107755206
ethyl 1-(ethylamino)-2-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79571764
ethyl 2-[2-(3,3-dimethylbutoxy)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79587367

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate (CID 79568445) is ethyl 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate is CCOC(=O)C1(NC)CCCC1CCn1ncc(Cl)c1C.
What is the InChIKey of ethyl 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate?
The InChIKey is XANDFKIHCUWXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O2/c1-4-21-14(20)15(17-3)8-5-6-12(15)7-9-19-11(2)13(16)10-18-19/h10,12,17H,4-9H2,1-3H3.
What are the key properties of ethyl 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate?
ethyl 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate has a molecular weight of 313.83 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79568445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).