tert-butyl N-[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate

C16H24F3N3O2 — CID 178058089

IUPACtert-butyl N-[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate
SMILESCC(C)(Cn1nc(C(F)(F)F)cc1C1CC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H24F3N3O2/c1-14(2,3)24-13(23)20-15(4,5)9-22-11(10-6-7-10)8-12(21-22)16(17,18)19/h8,10H,6-7,9H2,1-5H3,(H,20,23)
InChIKeyKBQPRDZVIZLRKW-UHFFFAOYSA-N
MW347.38 g/mol
LogP4.08
Rot. Bonds4

About tert-butyl N-[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate (PubChem CID 178058089) has the molecular formula C16H24F3N3O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is tert-butyl N-[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate
PubChem CID178058089
Molecular FormulaC16H24F3N3O2
Molecular Weight347.38 g/mol
Exact Mass347.18
IUPAC Nametert-butyl N-[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate
SMILESCC(C)(Cn1nc(C(F)(F)F)cc1C1CC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H24F3N3O2/c1-14(2,3)24-13(23)20-15(4,5)9-22-11(10-6-7-10)8-12(21-22)16(17,18)19/h8,10H,6-7,9H2,1-5H3,(H,20,23)
InChIKeyKBQPRDZVIZLRKW-UHFFFAOYSA-N
XLogP4.08
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 54.08
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-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate (CID 178058089) is tert-butyl N-[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate is CC(C)(Cn1nc(C(F)(F)F)cc1C1CC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate?
The InChIKey is KBQPRDZVIZLRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O2/c1-14(2,3)24-13(23)20-15(4,5)9-22-11(10-6-7-10)8-12(21-22)16(17,18)19/h8,10H,6-7,9H2,1-5H3,(H,20,23).
What are the key properties of tert-butyl N-[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate has a molecular weight of 347.38 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 178058089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).