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

C11H15F3N4O2 — CID 138655268

IUPACmethyl N-[3-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate
SMILESCOC(=O)NC1CCC(n2nc(C(F)(F)F)cc2N)C1
InChIInChI=1S/C11H15F3N4O2/c1-20-10(19)16-6-2-3-7(4-6)18-9(15)5-8(17-18)11(12,13)14/h5-7H,2-4,15H2,1H3,(H,16,19)
InChIKeyMMSFFNISGCVCIB-UHFFFAOYSA-N
MW292.26 g/mol
LogP1.93
Rot. Bonds2

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

methyl N-[3-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate (PubChem CID 138655268) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is methyl N-[3-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate
PubChem CID138655268
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Namemethyl N-[3-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate
SMILESCOC(=O)NC1CCC(n2nc(C(F)(F)F)cc2N)C1
InChIInChI=1S/C11H15F3N4O2/c1-20-10(19)16-6-2-3-7(4-6)18-9(15)5-8(17-18)11(12,13)14/h5-7H,2-4,15H2,1H3,(H,16,19)
InChIKeyMMSFFNISGCVCIB-UHFFFAOYSA-N
XLogP1.93
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate?
The IUPAC name of methyl N-[3-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate (CID 138655268) is methyl N-[3-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate.
What is the SMILES notation for methyl N-[3-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate?
The canonical SMILES for methyl N-[3-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate is COC(=O)NC1CCC(n2nc(C(F)(F)F)cc2N)C1.
What is the InChIKey of methyl N-[3-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate?
The InChIKey is MMSFFNISGCVCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-20-10(19)16-6-2-3-7(4-6)18-9(15)5-8(17-18)11(12,13)14/h5-7H,2-4,15H2,1H3,(H,16,19).
What are the key properties of methyl N-[3-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate?
methyl N-[3-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate has a molecular weight of 292.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate is sourced from PubChem (CID 138655268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).