methyl N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate

C11H14F3N3O2 — CID 71807717

IUPACmethyl N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate
SMILESCOC(=O)NCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C11H14F3N3O2/c1-19-10(18)15-4-5-17-8(7-2-3-7)6-9(16-17)11(12,13)14/h6-7H,2-5H2,1H3,(H,15,18)
InChIKeyRWKIPJXBHHYVFD-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.14
Rot. Bonds4

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

methyl N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate (PubChem CID 71807717) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is methyl N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate
PubChem CID71807717
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Namemethyl N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate
SMILESCOC(=O)NCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C11H14F3N3O2/c1-19-10(18)15-4-5-17-8(7-2-3-7)6-9(16-17)11(12,13)14/h6-7H,2-5H2,1H3,(H,15,18)
InChIKeyRWKIPJXBHHYVFD-UHFFFAOYSA-N
XLogP2.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate?
The IUPAC name of methyl N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate (CID 71807717) is methyl N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate is COC(=O)NCCn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of methyl N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate?
The InChIKey is RWKIPJXBHHYVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-19-10(18)15-4-5-17-8(7-2-3-7)6-9(16-17)11(12,13)14/h6-7H,2-5H2,1H3,(H,15,18).
What are the key properties of methyl N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate?
methyl N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate has a molecular weight of 277.25 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate is sourced from PubChem (CID 71807717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).