5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine

C11H10F3N3O — CID 706388

IUPAC5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine
SMILESCc1cc(N)n(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C11H10F3N3O/c1-7-6-10(15)17(16-7)8-2-4-9(5-3-8)18-11(12,13)14/h2-6H,15H2,1H3
InChIKeyBGHFCLLPFXATNV-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.66
Rot. Bonds2

About 5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine

5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine (PubChem CID 706388) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is 5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine
PubChem CID706388
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine
SMILESCc1cc(N)n(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C11H10F3N3O/c1-7-6-10(15)17(16-7)8-2-4-9(5-3-8)18-11(12,13)14/h2-6H,15H2,1H3
InChIKeyBGHFCLLPFXATNV-UHFFFAOYSA-N
XLogP2.66
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine?
The IUPAC name of 5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine (CID 706388) is 5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine.
What is the SMILES notation for 5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine?
The canonical SMILES for 5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine is Cc1cc(N)n(-c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine?
The InChIKey is BGHFCLLPFXATNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-7-6-10(15)17(16-7)8-2-4-9(5-3-8)18-11(12,13)14/h2-6H,15H2,1H3.
What are the key properties of 5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine?
5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine has a molecular weight of 257.22 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine is sourced from PubChem (CID 706388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).