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

C15H13F2N3O — CID 66858122

IUPAC1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-amine
SMILESNc1nn(Cc2ccc(OC(F)F)cc2)c2ccccc12
InChIInChI=1S/C15H13F2N3O/c16-15(17)21-11-7-5-10(6-8-11)9-20-13-4-2-1-3-12(13)14(18)19-20/h1-8,15H,9H2,(H2,18,19)
InChIKeyLKMDGHBGYNDSFF-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.27
Rot. Bonds4

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

1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-amine (PubChem CID 66858122) has the molecular formula C15H13F2N3O and a molecular weight of 289.29 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-amine.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-amine
PubChem CID66858122
Molecular FormulaC15H13F2N3O
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-amine
SMILESNc1nn(Cc2ccc(OC(F)F)cc2)c2ccccc12
InChIInChI=1S/C15H13F2N3O/c16-15(17)21-11-7-5-10(6-8-11)9-20-13-4-2-1-3-12(13)14(18)19-20/h1-8,15H,9H2,(H2,18,19)
InChIKeyLKMDGHBGYNDSFF-UHFFFAOYSA-N
XLogP3.27
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.27
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]indazol-3-amine?
The IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-amine (CID 66858122) is 1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-amine.
What is the SMILES notation for 1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-amine?
The canonical SMILES for 1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-amine is Nc1nn(Cc2ccc(OC(F)F)cc2)c2ccccc12.
What is the InChIKey of 1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-amine?
The InChIKey is LKMDGHBGYNDSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O/c16-15(17)21-11-7-5-10(6-8-11)9-20-13-4-2-1-3-12(13)14(18)19-20/h1-8,15H,9H2,(H2,18,19).
What are the key properties of 1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-amine?
1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-amine has a molecular weight of 289.29 g/mol, XLogP of 3.27, 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]indazol-3-amine is sourced from PubChem (CID 66858122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).