tert-butyl N-[(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate

C15H25F2N3O3 — CID 166164075

IUPACtert-butyl N-[(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate
SMILESCC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)c1ccn(C(F)F)n1
InChIInChI=1S/C15H25F2N3O3/c1-14(2,3)22-9-11(18-13(21)23-15(4,5)6)10-7-8-20(19-10)12(16)17/h7-8,11-12H,9H2,1-6H3,(H,18,21)/t11-/m0/s1
InChIKeyQDQXAGOIPDSROD-NSHDSACASA-N
MW333.38 g/mol
LogP3.66
Rot. Bonds5

About tert-butyl N-[(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate

tert-butyl N-[(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate (PubChem CID 166164075) has the molecular formula C15H25F2N3O3 and a molecular weight of 333.38 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate
PubChem CID166164075
Molecular FormulaC15H25F2N3O3
Molecular Weight333.38 g/mol
Exact Mass333.19
IUPAC Nametert-butyl N-[(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate
SMILESCC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)c1ccn(C(F)F)n1
InChIInChI=1S/C15H25F2N3O3/c1-14(2,3)22-9-11(18-13(21)23-15(4,5)6)10-7-8-20(19-10)12(16)17/h7-8,11-12H,9H2,1-6H3,(H,18,21)/t11-/m0/s1
InChIKeyQDQXAGOIPDSROD-NSHDSACASA-N
XLogP3.66
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate (CID 166164075) is tert-butyl N-[(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate is CC(C)(C)OC[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]-2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate?
The InChIKey is QDQXAGOIPDSROD-NSHDSACASA-N. The full InChI is InChI=1S/C15H25F2N3O3/c1-14(2,3)22-9-11(18-13(21)23-15(4,5)6)10-7-8-20(19-10)12(16)17/h7-8,11-12H,9H2,1-6H3,(H,18,21)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate?
tert-butyl N-[(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate has a molecular weight of 333.38 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate is sourced from PubChem (CID 166164075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).