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

C12H17F2N3O2 — CID 166164027

IUPACtert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccn(C(F)F)n2)CC1
InChIInChI=1S/C12H17F2N3O2/c1-11(2,3)19-10(18)15-12(5-6-12)8-4-7-17(16-8)9(13)14/h4,7,9H,5-6H2,1-3H3,(H,15,18)
InChIKeyRBOXJMDILOWEQA-UHFFFAOYSA-N
MW273.28 g/mol
LogP2.79
Rot. Bonds3

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

tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclopropyl]carbamate (PubChem CID 166164027) has the molecular formula C12H17F2N3O2 and a molecular weight of 273.28 g/mol. Its IUPAC name is tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclopropyl]carbamate
PubChem CID166164027
Molecular FormulaC12H17F2N3O2
Molecular Weight273.28 g/mol
Exact Mass273.13
IUPAC Nametert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccn(C(F)F)n2)CC1
InChIInChI=1S/C12H17F2N3O2/c1-11(2,3)19-10(18)15-12(5-6-12)8-4-7-17(16-8)9(13)14/h4,7,9H,5-6H2,1-3H3,(H,15,18)
InChIKeyRBOXJMDILOWEQA-UHFFFAOYSA-N
XLogP2.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclopropyl]carbamate (CID 166164027) is tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1(c2ccn(C(F)F)n2)CC1.
What is the InChIKey of tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclopropyl]carbamate?
The InChIKey is RBOXJMDILOWEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O2/c1-11(2,3)19-10(18)15-12(5-6-12)8-4-7-17(16-8)9(13)14/h4,7,9H,5-6H2,1-3H3,(H,15,18).
What are the key properties of tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclopropyl]carbamate?
tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclopropyl]carbamate has a molecular weight of 273.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclopropyl]carbamate is sourced from PubChem (CID 166164027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).