tert-butyl N-[(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]carbamate

C11H17F2N3O2 — CID 166163805

IUPACtert-butyl N-[(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)c1ccn(C(F)F)n1
InChIInChI=1S/C11H17F2N3O2/c1-7(14-10(17)18-11(2,3)4)8-5-6-16(15-8)9(12)13/h5-7,9H,1-4H3,(H,14,17)/t7-/m1/s1
InChIKeyFDAVDYIOMOPMIR-SSDOTTSWSA-N
MW261.27 g/mol
LogP2.86
Rot. Bonds3

About tert-butyl N-[(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]carbamate

tert-butyl N-[(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]carbamate (PubChem CID 166163805) has the molecular formula C11H17F2N3O2 and a molecular weight of 261.27 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]carbamate
PubChem CID166163805
Molecular FormulaC11H17F2N3O2
Molecular Weight261.27 g/mol
Exact Mass261.13
IUPAC Nametert-butyl N-[(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)c1ccn(C(F)F)n1
InChIInChI=1S/C11H17F2N3O2/c1-7(14-10(17)18-11(2,3)4)8-5-6-16(15-8)9(12)13/h5-7,9H,1-4H3,(H,14,17)/t7-/m1/s1
InChIKeyFDAVDYIOMOPMIR-SSDOTTSWSA-N
XLogP2.86
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]carbamate (CID 166163805) is tert-butyl N-[(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]carbamate is C[C@@H](NC(=O)OC(C)(C)C)c1ccn(C(F)F)n1.
What is the InChIKey of tert-butyl N-[(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]carbamate?
The InChIKey is FDAVDYIOMOPMIR-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H17F2N3O2/c1-7(14-10(17)18-11(2,3)4)8-5-6-16(15-8)9(12)13/h5-7,9H,1-4H3,(H,14,17)/t7-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]carbamate?
tert-butyl N-[(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]carbamate has a molecular weight of 261.27 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl]carbamate is sourced from PubChem (CID 166163805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).