ethyl 1-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylate

C13H18F3N3O2 — CID 79646418

IUPACethyl 1-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCC(n2cc(C(F)(F)F)cn2)C1
InChIInChI=1S/C13H18F3N3O2/c1-3-21-11(20)12(17-2)5-4-10(6-12)19-8-9(7-18-19)13(14,15)16/h7-8,10,17H,3-6H2,1-2H3
InChIKeyUSPBTDZRQNCPMU-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.15
Rot. Bonds4

About ethyl 1-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylate

ethyl 1-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylate (PubChem CID 79646418) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is ethyl 1-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylate
PubChem CID79646418
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC Nameethyl 1-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCC(n2cc(C(F)(F)F)cn2)C1
InChIInChI=1S/C13H18F3N3O2/c1-3-21-11(20)12(17-2)5-4-10(6-12)19-8-9(7-18-19)13(14,15)16/h7-8,10,17H,3-6H2,1-2H3
InChIKeyUSPBTDZRQNCPMU-UHFFFAOYSA-N
XLogP2.15
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(4-iodopyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79649106
1-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxamide
CID 79646419
ethyl 1-(methylamino)-3-pyrrolidin-1-ylcyclopentane-1-carboxylate
CID 79649541
ethyl 3-(4-chloro-3-methylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79638065
ethyl 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(methylamino)cyclopentane-1-carboxylate
CID 79651185
ethyl 3-(3,5-dimethylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79641995
ethyl 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylate
CID 79645136
1-(methylamino)-3-(4-phenylpyrazol-1-yl)cyclopentane-1-carboxamide
CID 79646407
methyl 3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclopentane-1-carboxylate
CID 79651817
ethyl 1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylate
CID 79648415
ethyl 3-[ethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79654804
ethyl 3-[bis(2-methoxyethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79647195

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylate (CID 79646418) is ethyl 1-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylate is CCOC(=O)C1(NC)CCC(n2cc(C(F)(F)F)cn2)C1.
What is the InChIKey of ethyl 1-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylate?
The InChIKey is USPBTDZRQNCPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-3-21-11(20)12(17-2)5-4-10(6-12)19-8-9(7-18-19)13(14,15)16/h7-8,10,17H,3-6H2,1-2H3.
What are the key properties of ethyl 1-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylate?
ethyl 1-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylate has a molecular weight of 305.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylate is sourced from PubChem (CID 79646418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).