2-methylbutan-2-yl N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate

C10H14F3N3O2 — CID 175286461

IUPAC2-methylbutan-2-yl N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate
SMILESCCC(C)(C)OC(=O)Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C10H14F3N3O2/c1-4-9(2,3)18-8(17)14-7-5-6(15-16-7)10(11,12)13/h5H,4H2,1-3H3,(H2,14,15,16,17)
InChIKeyYWCLDVJYUFHEIB-UHFFFAOYSA-N
MW265.23 g/mol
LogP3.17
Rot. Bonds3

About 2-methylbutan-2-yl N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate

2-methylbutan-2-yl N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate (PubChem CID 175286461) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-methylbutan-2-yl N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate.

Molecular Properties

Compound Name2-methylbutan-2-yl N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate
PubChem CID175286461
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name2-methylbutan-2-yl N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate
SMILESCCC(C)(C)OC(=O)Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C10H14F3N3O2/c1-4-9(2,3)18-8(17)14-7-5-6(15-16-7)10(11,12)13/h5H,4H2,1-3H3,(H2,14,15,16,17)
InChIKeyYWCLDVJYUFHEIB-UHFFFAOYSA-N
XLogP3.17
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate?
The IUPAC name of 2-methylbutan-2-yl N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate (CID 175286461) is 2-methylbutan-2-yl N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate.
What is the SMILES notation for 2-methylbutan-2-yl N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate?
The canonical SMILES for 2-methylbutan-2-yl N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate is CCC(C)(C)OC(=O)Nc1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 2-methylbutan-2-yl N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate?
The InChIKey is YWCLDVJYUFHEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-4-9(2,3)18-8(17)14-7-5-6(15-16-7)10(11,12)13/h5H,4H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-methylbutan-2-yl N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate?
2-methylbutan-2-yl N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate has a molecular weight of 265.23 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate is sourced from PubChem (CID 175286461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).