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

C14H21F2N3O2 — CID 166164033

IUPACtert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccn(C(F)F)n2)CCCC1
InChIInChI=1S/C14H21F2N3O2/c1-13(2,3)21-12(20)17-14(7-4-5-8-14)10-6-9-19(18-10)11(15)16/h6,9,11H,4-5,7-8H2,1-3H3,(H,17,20)
InChIKeyZWQGAVMOVHELLN-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.57
Rot. Bonds3

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

tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclopentyl]carbamate (PubChem CID 166164033) has the molecular formula C14H21F2N3O2 and a molecular weight of 301.34 g/mol. Its IUPAC name is tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclopentyl]carbamate
PubChem CID166164033
Molecular FormulaC14H21F2N3O2
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Nametert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccn(C(F)F)n2)CCCC1
InChIInChI=1S/C14H21F2N3O2/c1-13(2,3)21-12(20)17-14(7-4-5-8-14)10-6-9-19(18-10)11(15)16/h6,9,11H,4-5,7-8H2,1-3H3,(H,17,20)
InChIKeyZWQGAVMOVHELLN-UHFFFAOYSA-N
XLogP3.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.57
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]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclopentyl]carbamate (CID 166164033) is tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1(c2ccn(C(F)F)n2)CCCC1.
What is the InChIKey of tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclopentyl]carbamate?
The InChIKey is ZWQGAVMOVHELLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3O2/c1-13(2,3)21-12(20)17-14(7-4-5-8-14)10-6-9-19(18-10)11(15)16/h6,9,11H,4-5,7-8H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclopentyl]carbamate?
tert-butyl N-[1-[1-(difluoromethyl)pyrazol-3-yl]cyclopentyl]carbamate has a molecular weight of 301.34 g/mol, XLogP of 3.57, 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]cyclopentyl]carbamate is sourced from PubChem (CID 166164033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).