methyl N-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate

C14H20F3N3O2 — CID 134331600

IUPACmethyl N-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate
SMILESCOC(=O)NC1CCC(n2nc(C(F)(F)F)cc2C(C)C)C1
InChIInChI=1S/C14H20F3N3O2/c1-8(2)11-7-12(14(15,16)17)19-20(11)10-5-4-9(6-10)18-13(21)22-3/h7-10H,4-6H2,1-3H3,(H,18,21)
InChIKeyBHXXUMLYIKCYQW-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.47
Rot. Bonds3

About methyl N-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate

methyl N-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate (PubChem CID 134331600) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is methyl N-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate
PubChem CID134331600
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC Namemethyl N-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate
SMILESCOC(=O)NC1CCC(n2nc(C(F)(F)F)cc2C(C)C)C1
InChIInChI=1S/C14H20F3N3O2/c1-8(2)11-7-12(14(15,16)17)19-20(11)10-5-4-9(6-10)18-13(21)22-3/h7-10H,4-6H2,1-3H3,(H,18,21)
InChIKeyBHXXUMLYIKCYQW-UHFFFAOYSA-N
XLogP3.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate?
The IUPAC name of methyl N-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate (CID 134331600) is methyl N-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate.
What is the SMILES notation for methyl N-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate?
The canonical SMILES for methyl N-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate is COC(=O)NC1CCC(n2nc(C(F)(F)F)cc2C(C)C)C1.
What is the InChIKey of methyl N-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate?
The InChIKey is BHXXUMLYIKCYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c1-8(2)11-7-12(14(15,16)17)19-20(11)10-5-4-9(6-10)18-13(21)22-3/h7-10H,4-6H2,1-3H3,(H,18,21).
What are the key properties of methyl N-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate?
methyl N-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate has a molecular weight of 319.33 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate is sourced from PubChem (CID 134331600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).