tert-butyl N-[4-amino-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate

C10H15F3N4O2 — CID 125456035

IUPACtert-butyl N-[4-amino-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate
SMILESCn1nc(C(F)(F)F)c(N)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H15F3N4O2/c1-9(2,3)19-8(18)15-7-5(14)6(10(11,12)13)16-17(7)4/h14H2,1-4H3,(H,15,18)
InChIKeyFHPYFQNNUHYCFY-UHFFFAOYSA-N
MW280.25 g/mol
LogP2.37
Rot. Bonds1

About tert-butyl N-[4-amino-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate

tert-butyl N-[4-amino-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate (PubChem CID 125456035) has the molecular formula C10H15F3N4O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is tert-butyl N-[4-amino-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate
PubChem CID125456035
Molecular FormulaC10H15F3N4O2
Molecular Weight280.25 g/mol
Exact Mass280.11
IUPAC Nametert-butyl N-[4-amino-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate
SMILESCn1nc(C(F)(F)F)c(N)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H15F3N4O2/c1-9(2,3)19-8(18)15-7-5(14)6(10(11,12)13)16-17(7)4/h14H2,1-4H3,(H,15,18)
InChIKeyFHPYFQNNUHYCFY-UHFFFAOYSA-N
XLogP2.37
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate (CID 125456035) is tert-butyl N-[4-amino-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate is Cn1nc(C(F)(F)F)c(N)c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-amino-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate?
The InChIKey is FHPYFQNNUHYCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2/c1-9(2,3)19-8(18)15-7-5(14)6(10(11,12)13)16-17(7)4/h14H2,1-4H3,(H,15,18).
What are the key properties of tert-butyl N-[4-amino-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate?
tert-butyl N-[4-amino-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate has a molecular weight of 280.25 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-amino-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate is sourced from PubChem (CID 125456035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).