1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine

C11H7F6N3 — CID 153285852

IUPAC1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine
SMILESNc1cnn(-c2ccc(C(F)(F)F)cc2C(F)(F)F)c1
InChIInChI=1S/C11H7F6N3/c12-10(13,14)6-1-2-9(8(3-6)11(15,16)17)20-5-7(18)4-19-20/h1-5H,18H2
InChIKeyIWSJNTMLMLFWFY-UHFFFAOYSA-N
MW295.19 g/mol
LogP3.49
Rot. Bonds1

About 1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine

1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine (PubChem CID 153285852) has the molecular formula C11H7F6N3 and a molecular weight of 295.19 g/mol. Its IUPAC name is 1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine
PubChem CID153285852
Molecular FormulaC11H7F6N3
Molecular Weight295.19 g/mol
Exact Mass295.05
IUPAC Name1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine
SMILESNc1cnn(-c2ccc(C(F)(F)F)cc2C(F)(F)F)c1
InChIInChI=1S/C11H7F6N3/c12-10(13,14)6-1-2-9(8(3-6)11(15,16)17)20-5-7(18)4-19-20/h1-5H,18H2
InChIKeyIWSJNTMLMLFWFY-UHFFFAOYSA-N
XLogP3.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine?
The IUPAC name of 1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine (CID 153285852) is 1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine?
The canonical SMILES for 1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine is Nc1cnn(-c2ccc(C(F)(F)F)cc2C(F)(F)F)c1.
What is the InChIKey of 1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine?
The InChIKey is IWSJNTMLMLFWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F6N3/c12-10(13,14)6-1-2-9(8(3-6)11(15,16)17)20-5-7(18)4-19-20/h1-5H,18H2.
What are the key properties of 1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine?
1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine has a molecular weight of 295.19 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine is sourced from PubChem (CID 153285852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).