1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazol-3-amine

C15H12F3N3O — CID 66857272

IUPAC1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazol-3-amine
SMILESNc1nn(Cc2ccc(OC(F)F)cc2)c2ccc(F)cc12
InChIInChI=1S/C15H12F3N3O/c16-10-3-6-13-12(7-10)14(19)20-21(13)8-9-1-4-11(5-2-9)22-15(17)18/h1-7,15H,8H2,(H2,19,20)
InChIKeySISYRHISKQTYAR-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.41
Rot. Bonds4

About 1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazol-3-amine

1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazol-3-amine (PubChem CID 66857272) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazol-3-amine.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazol-3-amine
PubChem CID66857272
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC Name1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazol-3-amine
SMILESNc1nn(Cc2ccc(OC(F)F)cc2)c2ccc(F)cc12
InChIInChI=1S/C15H12F3N3O/c16-10-3-6-13-12(7-10)14(19)20-21(13)8-9-1-4-11(5-2-9)22-15(17)18/h1-7,15H,8H2,(H2,19,20)
InChIKeySISYRHISKQTYAR-UHFFFAOYSA-N
XLogP3.41
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazol-3-amine?
The IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazol-3-amine (CID 66857272) is 1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazol-3-amine.
What is the SMILES notation for 1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazol-3-amine?
The canonical SMILES for 1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazol-3-amine is Nc1nn(Cc2ccc(OC(F)F)cc2)c2ccc(F)cc12.
What is the InChIKey of 1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazol-3-amine?
The InChIKey is SISYRHISKQTYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c16-10-3-6-13-12(7-10)14(19)20-21(13)8-9-1-4-11(5-2-9)22-15(17)18/h1-7,15H,8H2,(H2,19,20).
What are the key properties of 1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazol-3-amine?
1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazol-3-amine has a molecular weight of 307.28 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazol-3-amine is sourced from PubChem (CID 66857272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).