N-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine

C10H8F3N3O — CID 90872376

IUPACN-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine
SMILESFC(F)(F)Oc1ccccc1Nc1ccn[nH]1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)17-8-4-2-1-3-7(8)15-9-5-6-14-16-9/h1-6H,(H2,14,15,16)
InChIKeyVYSPTRGIKKCIKH-UHFFFAOYSA-N
MW243.19 g/mol
LogP3.05
Rot. Bonds3

About N-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine

N-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine (PubChem CID 90872376) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is N-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine
PubChem CID90872376
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC NameN-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine
SMILESFC(F)(F)Oc1ccccc1Nc1ccn[nH]1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)17-8-4-2-1-3-7(8)15-9-5-6-14-16-9/h1-6H,(H2,14,15,16)
InChIKeyVYSPTRGIKKCIKH-UHFFFAOYSA-N
XLogP3.05
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine?
The IUPAC name of N-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine (CID 90872376) is N-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for N-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for N-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine is FC(F)(F)Oc1ccccc1Nc1ccn[nH]1.
What is the InChIKey of N-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine?
The InChIKey is VYSPTRGIKKCIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c11-10(12,13)17-8-4-2-1-3-7(8)15-9-5-6-14-16-9/h1-6H,(H2,14,15,16).
What are the key properties of N-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine?
N-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine has a molecular weight of 243.19 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 90872376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).