[(2R)-5,5-difluoro-4-methylpentan-2-yl] N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]carbamate

C16H23F4N3O2 — CID 169169544

IUPAC[(2R)-5,5-difluoro-4-methylpentan-2-yl] N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]carbamate
SMILESCc1c(C2CC(F)(F)C2)nn(C)c1NC(=O)O[C@H](C)CC(C)C(F)F
InChIInChI=1S/C16H23F4N3O2/c1-8(13(17)18)5-9(2)25-15(24)21-14-10(3)12(22-23(14)4)11-6-16(19,20)7-11/h8-9,11,13H,5-7H2,1-4H3,(H,21,24)/t8?,9-/m1/s1
InChIKeyYEWBXAUXGAHSBK-YGPZHTELSA-N
MW365.37 g/mol
LogP4.47
Rot. Bonds6

About [(2R)-5,5-difluoro-4-methylpentan-2-yl] N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]carbamate

[(2R)-5,5-difluoro-4-methylpentan-2-yl] N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]carbamate (PubChem CID 169169544) has the molecular formula C16H23F4N3O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is [(2R)-5,5-difluoro-4-methylpentan-2-yl] N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]carbamate.

Molecular Properties

Compound Name[(2R)-5,5-difluoro-4-methylpentan-2-yl] N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]carbamate
PubChem CID169169544
Molecular FormulaC16H23F4N3O2
Molecular Weight365.37 g/mol
Exact Mass365.17
IUPAC Name[(2R)-5,5-difluoro-4-methylpentan-2-yl] N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]carbamate
SMILESCc1c(C2CC(F)(F)C2)nn(C)c1NC(=O)O[C@H](C)CC(C)C(F)F
InChIInChI=1S/C16H23F4N3O2/c1-8(13(17)18)5-9(2)25-15(24)21-14-10(3)12(22-23(14)4)11-6-16(19,20)7-11/h8-9,11,13H,5-7H2,1-4H3,(H,21,24)/t8?,9-/m1/s1
InChIKeyYEWBXAUXGAHSBK-YGPZHTELSA-N
XLogP4.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-5,5-difluoro-4-methylpentan-2-yl] N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]carbamate?
The IUPAC name of [(2R)-5,5-difluoro-4-methylpentan-2-yl] N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]carbamate (CID 169169544) is [(2R)-5,5-difluoro-4-methylpentan-2-yl] N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]carbamate.
What is the SMILES notation for [(2R)-5,5-difluoro-4-methylpentan-2-yl] N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]carbamate?
The canonical SMILES for [(2R)-5,5-difluoro-4-methylpentan-2-yl] N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]carbamate is Cc1c(C2CC(F)(F)C2)nn(C)c1NC(=O)O[C@H](C)CC(C)C(F)F.
What is the InChIKey of [(2R)-5,5-difluoro-4-methylpentan-2-yl] N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]carbamate?
The InChIKey is YEWBXAUXGAHSBK-YGPZHTELSA-N. The full InChI is InChI=1S/C16H23F4N3O2/c1-8(13(17)18)5-9(2)25-15(24)21-14-10(3)12(22-23(14)4)11-6-16(19,20)7-11/h8-9,11,13H,5-7H2,1-4H3,(H,21,24)/t8?,9-/m1/s1.
What are the key properties of [(2R)-5,5-difluoro-4-methylpentan-2-yl] N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]carbamate?
[(2R)-5,5-difluoro-4-methylpentan-2-yl] N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]carbamate has a molecular weight of 365.37 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5,5-difluoro-4-methylpentan-2-yl] N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]carbamate is sourced from PubChem (CID 169169544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).