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

C17H28F3N3O2 — CID 178058063

IUPACtert-butyl N-[1-[5-butan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate
SMILESCCC(C)c1cc(C(F)(F)F)nn1CC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H28F3N3O2/c1-8-11(2)12-9-13(17(18,19)20)22-23(12)10-16(6,7)21-14(24)25-15(3,4)5/h9,11H,8,10H2,1-7H3,(H,21,24)
InChIKeyYOZTXIFYDYOKCM-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.72
Rot. Bonds5

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

tert-butyl N-[1-[5-butan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate (PubChem CID 178058063) has the molecular formula C17H28F3N3O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is tert-butyl N-[1-[5-butan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[5-butan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate
PubChem CID178058063
Molecular FormulaC17H28F3N3O2
Molecular Weight363.42 g/mol
Exact Mass363.21
IUPAC Nametert-butyl N-[1-[5-butan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate
SMILESCCC(C)c1cc(C(F)(F)F)nn1CC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H28F3N3O2/c1-8-11(2)12-9-13(17(18,19)20)22-23(12)10-16(6,7)21-14(24)25-15(3,4)5/h9,11H,8,10H2,1-7H3,(H,21,24)
InChIKeyYOZTXIFYDYOKCM-UHFFFAOYSA-N
XLogP4.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-[5-butan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate with MolForge

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Related Compounds

ethyl (2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)carbamate
CID 71807721
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide
CID 4116900
tert-butyl ((1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)methyl)carbamate
CID 75175985
ethyl ((5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl)carbamate
CID 71808536
tert-Butyl (1-(cyclopropylmethyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)methylcarbamate
CID 69906290
tert-butyl N-[4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexyl]carbamate
CID 90794819
Tert-butyl 6-[3-ethyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 123701836
Tert-butyl 3-[1-(3,3-difluorocyclopentyl)-3-ethylpyrazol-5-yl]azetidine-1-carboxylate
CID 123782421
Tert-butyl 3-[2-(3,3-difluorocyclopentyl)-5-methylpyrazol-3-yl]azetidine-1-carboxylate
CID 126489454
Tert-butyl 4-[2-(3,3-difluorocyclopentyl)-5-methylpyrazol-3-yl]piperidine-1-carboxylate
CID 126489532
methyl N-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate
CID 134331600
methyl N-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate
CID 134331630

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-butan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[5-butan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate (CID 178058063) is tert-butyl N-[1-[5-butan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[5-butan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[5-butan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate is CCC(C)c1cc(C(F)(F)F)nn1CC(C)(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[5-butan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate?
The InChIKey is YOZTXIFYDYOKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F3N3O2/c1-8-11(2)12-9-13(17(18,19)20)22-23(12)10-16(6,7)21-14(24)25-15(3,4)5/h9,11H,8,10H2,1-7H3,(H,21,24).
What are the key properties of tert-butyl N-[1-[5-butan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-[5-butan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate has a molecular weight of 363.42 g/mol, XLogP of 4.72, 5 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-butan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 178058063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).