5-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine

C10H7F4N3 — CID 117364136

IUPAC5-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2cccc(F)c2C(F)(F)F)[nH]n1
InChIInChI=1S/C10H7F4N3/c11-6-3-1-2-5(9(6)10(12,13)14)7-4-8(15)17-16-7/h1-4H,(H3,15,16,17)
InChIKeyNNQGVTJEPZXBCW-UHFFFAOYSA-N
MW245.18 g/mol
LogP2.82
Rot. Bonds1

About 5-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine

5-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine (PubChem CID 117364136) has the molecular formula C10H7F4N3 and a molecular weight of 245.18 g/mol. Its IUPAC name is 5-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
PubChem CID117364136
Molecular FormulaC10H7F4N3
Molecular Weight245.18 g/mol
Exact Mass245.06
IUPAC Name5-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2cccc(F)c2C(F)(F)F)[nH]n1
InChIInChI=1S/C10H7F4N3/c11-6-3-1-2-5(9(6)10(12,13)14)7-4-8(15)17-16-7/h1-4H,(H3,15,16,17)
InChIKeyNNQGVTJEPZXBCW-UHFFFAOYSA-N
XLogP2.82
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.18
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine (CID 117364136) is 5-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine is Nc1cc(-c2cccc(F)c2C(F)(F)F)[nH]n1.
What is the InChIKey of 5-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is NNQGVTJEPZXBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F4N3/c11-6-3-1-2-5(9(6)10(12,13)14)7-4-8(15)17-16-7/h1-4H,(H3,15,16,17).
What are the key properties of 5-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
5-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine has a molecular weight of 245.18 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117364136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).