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

C11H10F3N3O — CID 16783565

IUPAC2-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine
SMILESNc1ccnn1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)18-9-3-1-8(2-4-9)7-17-10(15)5-6-16-17/h1-6H,7,15H2
InChIKeyYDKROERRTYCSRC-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.41
Rot. Bonds3

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

2-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine (PubChem CID 16783565) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is 2-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine
PubChem CID16783565
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name2-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine
SMILESNc1ccnn1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)18-9-3-1-8(2-4-9)7-17-10(15)5-6-16-17/h1-6H,7,15H2
InChIKeyYDKROERRTYCSRC-UHFFFAOYSA-N
XLogP2.41
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine?
The IUPAC name of 2-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine (CID 16783565) is 2-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine.
What is the SMILES notation for 2-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine?
The canonical SMILES for 2-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine is Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine?
The InChIKey is YDKROERRTYCSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c12-11(13,14)18-9-3-1-8(2-4-9)7-17-10(15)5-6-16-17/h1-6H,7,15H2.
What are the key properties of 2-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine?
2-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine has a molecular weight of 257.22 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine is sourced from PubChem (CID 16783565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).