ethyl 1-cyclopentyl-5-[2-(trifluoromethoxy)phenyl]pyrazole-3-carboxylate

C18H19F3N2O3 — CID 129204539

IUPACethyl 1-cyclopentyl-5-[2-(trifluoromethoxy)phenyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2OC(F)(F)F)n(C2CCCC2)n1
InChIInChI=1S/C18H19F3N2O3/c1-2-25-17(24)14-11-15(23(22-14)12-7-3-4-8-12)13-9-5-6-10-16(13)26-18(19,20)21/h5-6,9-12H,2-4,7-8H2,1H3
InChIKeyMFAWRQNVUJAOBN-UHFFFAOYSA-N
MW368.36 g/mol
LogP4.74
Rot. Bonds5

About ethyl 1-cyclopentyl-5-[2-(trifluoromethoxy)phenyl]pyrazole-3-carboxylate

ethyl 1-cyclopentyl-5-[2-(trifluoromethoxy)phenyl]pyrazole-3-carboxylate (PubChem CID 129204539) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is ethyl 1-cyclopentyl-5-[2-(trifluoromethoxy)phenyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclopentyl-5-[2-(trifluoromethoxy)phenyl]pyrazole-3-carboxylate
PubChem CID129204539
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC Nameethyl 1-cyclopentyl-5-[2-(trifluoromethoxy)phenyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2OC(F)(F)F)n(C2CCCC2)n1
InChIInChI=1S/C18H19F3N2O3/c1-2-25-17(24)14-11-15(23(22-14)12-7-3-4-8-12)13-9-5-6-10-16(13)26-18(19,20)21/h5-6,9-12H,2-4,7-8H2,1H3
InChIKeyMFAWRQNVUJAOBN-UHFFFAOYSA-N
XLogP4.74
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclopentyl-5-[2-(trifluoromethoxy)phenyl]pyrazole-3-carboxylate?
The IUPAC name of ethyl 1-cyclopentyl-5-[2-(trifluoromethoxy)phenyl]pyrazole-3-carboxylate (CID 129204539) is ethyl 1-cyclopentyl-5-[2-(trifluoromethoxy)phenyl]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-cyclopentyl-5-[2-(trifluoromethoxy)phenyl]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-cyclopentyl-5-[2-(trifluoromethoxy)phenyl]pyrazole-3-carboxylate is CCOC(=O)c1cc(-c2ccccc2OC(F)(F)F)n(C2CCCC2)n1.
What is the InChIKey of ethyl 1-cyclopentyl-5-[2-(trifluoromethoxy)phenyl]pyrazole-3-carboxylate?
The InChIKey is MFAWRQNVUJAOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c1-2-25-17(24)14-11-15(23(22-14)12-7-3-4-8-12)13-9-5-6-10-16(13)26-18(19,20)21/h5-6,9-12H,2-4,7-8H2,1H3.
What are the key properties of ethyl 1-cyclopentyl-5-[2-(trifluoromethoxy)phenyl]pyrazole-3-carboxylate?
ethyl 1-cyclopentyl-5-[2-(trifluoromethoxy)phenyl]pyrazole-3-carboxylate has a molecular weight of 368.36 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclopentyl-5-[2-(trifluoromethoxy)phenyl]pyrazole-3-carboxylate is sourced from PubChem (CID 129204539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).