tert-butyl N-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamate

C15H23F2N3O2 — CID 152534661

IUPACtert-butyl N-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(c2cnn(C(F)F)c2)CC1
InChIInChI=1S/C15H23F2N3O2/c1-15(2,3)22-14(21)19-12-6-4-10(5-7-12)11-8-18-20(9-11)13(16)17/h8-10,12-13H,4-7H2,1-3H3,(H,19,21)
InChIKeyYKGLESOJCNYPOD-UHFFFAOYSA-N
MW315.36 g/mol
LogP3.83
Rot. Bonds3

About tert-butyl N-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamate

tert-butyl N-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamate (PubChem CID 152534661) has the molecular formula C15H23F2N3O2 and a molecular weight of 315.36 g/mol. Its IUPAC name is tert-butyl N-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamate
PubChem CID152534661
Molecular FormulaC15H23F2N3O2
Molecular Weight315.36 g/mol
Exact Mass315.18
IUPAC Nametert-butyl N-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(c2cnn(C(F)F)c2)CC1
InChIInChI=1S/C15H23F2N3O2/c1-15(2,3)22-14(21)19-12-6-4-10(5-7-12)11-8-18-20(9-11)13(16)17/h8-10,12-13H,4-7H2,1-3H3,(H,19,21)
InChIKeyYKGLESOJCNYPOD-UHFFFAOYSA-N
XLogP3.83
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamate (CID 152534661) is tert-butyl N-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(c2cnn(C(F)F)c2)CC1.
What is the InChIKey of tert-butyl N-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamate?
The InChIKey is YKGLESOJCNYPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O2/c1-15(2,3)22-14(21)19-12-6-4-10(5-7-12)11-8-18-20(9-11)13(16)17/h8-10,12-13H,4-7H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamate?
tert-butyl N-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamate has a molecular weight of 315.36 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamate is sourced from PubChem (CID 152534661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).