methyl 1-(ethylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate

C14H23N3O2 — CID 79571908

IUPACmethyl 1-(ethylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCCC1CCn1cccn1
InChIInChI=1S/C14H23N3O2/c1-3-15-14(13(18)19-2)8-4-6-12(14)7-11-17-10-5-9-16-17/h5,9-10,12,15H,3-4,6-8,11H2,1-2H3
InChIKeyXPQFCZCJMNMUDB-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.59
Rot. Bonds6

About methyl 1-(ethylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate

methyl 1-(ethylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate (PubChem CID 79571908) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is methyl 1-(ethylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(ethylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate
PubChem CID79571908
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Namemethyl 1-(ethylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCCC1CCn1cccn1
InChIInChI=1S/C14H23N3O2/c1-3-15-14(13(18)19-2)8-4-6-12(14)7-11-17-10-5-9-16-17/h5,9-10,12,15H,3-4,6-8,11H2,1-2H3
InChIKeyXPQFCZCJMNMUDB-UHFFFAOYSA-N
XLogP1.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate
CID 79570989
methyl 2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79573398
1-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxamide
CID 79571409
ethyl 1-(ethylamino)-2-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79571764
methyl 1-(ethylamino)-2-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate
CID 104603829
methyl 1-(ethylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate
CID 79586715
methyl 1-(ethylamino)-2-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylate
CID 79577741
methyl 2-[2-[cyclopentyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79577097
1-(ethylamino)-2-[2-(4-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 79571060
methyl 1-(ethylamino)-2-[2-[methyl(pentyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79565199
methyl 1-(ethylamino)-2-[2-(2-methylpentoxy)ethyl]cyclopentane-1-carboxylate
CID 103284971
methyl 2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79578047

Frequently Asked Questions

What is the IUPAC name of methyl 1-(ethylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(ethylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate (CID 79571908) is methyl 1-(ethylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(ethylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(ethylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate is CCNC1(C(=O)OC)CCCC1CCn1cccn1.
What is the InChIKey of methyl 1-(ethylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate?
The InChIKey is XPQFCZCJMNMUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-15-14(13(18)19-2)8-4-6-12(14)7-11-17-10-5-9-16-17/h5,9-10,12,15H,3-4,6-8,11H2,1-2H3.
What are the key properties of methyl 1-(ethylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate?
methyl 1-(ethylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(ethylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79571908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).