1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-amine

C15H9F6N3O — CID 2742742

IUPAC1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-amine
SMILESNc1cc(-c2ccco2)nn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H9F6N3O/c16-14(17,18)8-4-9(15(19,20)21)6-10(5-8)24-13(22)7-11(23-24)12-2-1-3-25-12/h1-7H,22H2
InChIKeyRAQTYEDKVSVWGO-UHFFFAOYSA-N
MW361.25 g/mol
LogP4.75
Rot. Bonds2

About 1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-amine

1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-amine (PubChem CID 2742742) has the molecular formula C15H9F6N3O and a molecular weight of 361.25 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-amine
PubChem CID2742742
Molecular FormulaC15H9F6N3O
Molecular Weight361.25 g/mol
Exact Mass361.06
IUPAC Name1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-amine
SMILESNc1cc(-c2ccco2)nn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H9F6N3O/c16-14(17,18)8-4-9(15(19,20)21)6-10(5-8)24-13(22)7-11(23-24)12-2-1-3-25-12/h1-7H,22H2
InChIKeyRAQTYEDKVSVWGO-UHFFFAOYSA-N
XLogP4.75
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-amine?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-amine (CID 2742742) is 1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-amine.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-amine?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-amine is Nc1cc(-c2ccco2)nn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-amine?
The InChIKey is RAQTYEDKVSVWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6N3O/c16-14(17,18)8-4-9(15(19,20)21)6-10(5-8)24-13(22)7-11(23-24)12-2-1-3-25-12/h1-7H,22H2.
What are the key properties of 1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-amine?
1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-amine has a molecular weight of 361.25 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-amine is sourced from PubChem (CID 2742742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).