ethyl 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylate

C15H24ClN3O2 — CID 79646189

IUPACethyl 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CCC(n2nc(C)c(Cl)c2C)C1
InChIInChI=1S/C15H24ClN3O2/c1-5-17-15(14(20)21-6-2)8-7-12(9-15)19-11(4)13(16)10(3)18-19/h12,17H,5-9H2,1-4H3
InChIKeyJCVQYBFXNCOWBO-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.79
Rot. Bonds5

About ethyl 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylate

ethyl 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylate (PubChem CID 79646189) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is ethyl 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylate
PubChem CID79646189
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Nameethyl 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CCC(n2nc(C)c(Cl)c2C)C1
InChIInChI=1S/C15H24ClN3O2/c1-5-17-15(14(20)21-6-2)8-7-12(9-15)19-11(4)13(16)10(3)18-19/h12,17H,5-9H2,1-4H3
InChIKeyJCVQYBFXNCOWBO-UHFFFAOYSA-N
XLogP2.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(methylamino)-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexane-1-carboxylate
CID 79634253
ethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclopentane-1-carboxylate
CID 115561553
1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)cyclopentane-1-carboxylic acid
CID 79649254
ethyl 1-(ethylamino)-3-methylsulfanylcyclopentane-1-carboxylate
CID 79653865
ethyl 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(methylamino)cyclopentane-1-carboxylate
CID 79651185
ethyl 1-(ethylamino)-3-pyrimidin-2-ylsulfanylcyclopentane-1-carboxylate
CID 79654016
[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol
CID 79641045
ethyl 1-(ethylamino)-3-(3-ethylmorpholin-4-yl)cyclopentane-1-carboxylate
CID 79645896
ethyl 1-(ethylamino)-3-methylsulfanylcyclohexane-1-carboxylate
CID 79634825
ethyl 1-(ethylamino)-3-(3-hydroxypropylsulfanyl)cyclopentane-1-carboxylate
CID 79656004
ethyl 1-(ethylamino)-3-pentylsulfanylcyclopentane-1-carboxylate
CID 107755552
methyl 1-(ethylamino)-3-(4-propan-2-ylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 103502038

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylate (CID 79646189) is ethyl 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylate is CCNC1(C(=O)OCC)CCC(n2nc(C)c(Cl)c2C)C1.
What is the InChIKey of ethyl 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylate?
The InChIKey is JCVQYBFXNCOWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O2/c1-5-17-15(14(20)21-6-2)8-7-12(9-15)19-11(4)13(16)10(3)18-19/h12,17H,5-9H2,1-4H3.
What are the key properties of ethyl 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylate?
ethyl 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylate has a molecular weight of 313.83 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79646189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).