[5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl] carbamate

C11H9F3N4O2 — CID 67041273

IUPAC[5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl] carbamate
SMILESNC(=O)Oc1cnn(-c2ccccc2C(F)(F)F)c1N
InChIInChI=1S/C11H9F3N4O2/c12-11(13,14)6-3-1-2-4-7(6)18-9(15)8(5-17-18)20-10(16)19/h1-5H,15H2,(H2,16,19)
InChIKeyWOSCRYOLFYPHNL-UHFFFAOYSA-N
MW286.21 g/mol
LogP1.93
Rot. Bonds2

About [5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl] carbamate

[5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl] carbamate (PubChem CID 67041273) has the molecular formula C11H9F3N4O2 and a molecular weight of 286.21 g/mol. Its IUPAC name is [5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl] carbamate.

Molecular Properties

Compound Name[5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl] carbamate
PubChem CID67041273
Molecular FormulaC11H9F3N4O2
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC Name[5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl] carbamate
SMILESNC(=O)Oc1cnn(-c2ccccc2C(F)(F)F)c1N
InChIInChI=1S/C11H9F3N4O2/c12-11(13,14)6-3-1-2-4-7(6)18-9(15)8(5-17-18)20-10(16)19/h1-5H,15H2,(H2,16,19)
InChIKeyWOSCRYOLFYPHNL-UHFFFAOYSA-N
XLogP1.93
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl] carbamate?
The IUPAC name of [5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl] carbamate (CID 67041273) is [5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl] carbamate.
What is the SMILES notation for [5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl] carbamate?
The canonical SMILES for [5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl] carbamate is NC(=O)Oc1cnn(-c2ccccc2C(F)(F)F)c1N.
What is the InChIKey of [5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl] carbamate?
The InChIKey is WOSCRYOLFYPHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2/c12-11(13,14)6-3-1-2-4-7(6)18-9(15)8(5-17-18)20-10(16)19/h1-5H,15H2,(H2,16,19).
What are the key properties of [5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl] carbamate?
[5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl] carbamate has a molecular weight of 286.21 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl] carbamate is sourced from PubChem (CID 67041273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).