4-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine

C10H8F3N3O — CID 66598149

IUPAC4-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)17-7-3-1-2-6(4-7)8-5-15-16-9(8)14/h1-5H,(H3,14,15,16)
InChIKeySAQDBAOJNNYRSN-UHFFFAOYSA-N
MW243.19 g/mol
LogP2.56
Rot. Bonds2

About 4-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine

4-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine (PubChem CID 66598149) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 4-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine
PubChem CID66598149
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name4-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)17-7-3-1-2-6(4-7)8-5-15-16-9(8)14/h1-5H,(H3,14,15,16)
InChIKeySAQDBAOJNNYRSN-UHFFFAOYSA-N
XLogP2.56
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine (CID 66598149) is 4-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 4-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine?
The InChIKey is SAQDBAOJNNYRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c11-10(12,13)17-7-3-1-2-6(4-7)8-5-15-16-9(8)14/h1-5H,(H3,14,15,16).
What are the key properties of 4-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine?
4-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine has a molecular weight of 243.19 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 66598149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).