N-(3,5-difluorophenyl)-5-methoxy-1H-indazol-3-amine

C14H11F2N3O — CID 69168351

IUPACN-(3,5-difluorophenyl)-5-methoxy-1H-indazol-3-amine
SMILESCOc1ccc2[nH]nc(Nc3cc(F)cc(F)c3)c2c1
InChIInChI=1S/C14H11F2N3O/c1-20-11-2-3-13-12(7-11)14(19-18-13)17-10-5-8(15)4-9(16)6-10/h2-7H,1H3,(H2,17,18,19)
InChIKeyDHLRNSNUAAUAEX-UHFFFAOYSA-N
MW275.26 g/mol
LogP3.59
Rot. Bonds3

About N-(3,5-difluorophenyl)-5-methoxy-1H-indazol-3-amine

N-(3,5-difluorophenyl)-5-methoxy-1H-indazol-3-amine (PubChem CID 69168351) has the molecular formula C14H11F2N3O and a molecular weight of 275.26 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-5-methoxy-1H-indazol-3-amine.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-5-methoxy-1H-indazol-3-amine
PubChem CID69168351
Molecular FormulaC14H11F2N3O
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC NameN-(3,5-difluorophenyl)-5-methoxy-1H-indazol-3-amine
SMILESCOc1ccc2[nH]nc(Nc3cc(F)cc(F)c3)c2c1
InChIInChI=1S/C14H11F2N3O/c1-20-11-2-3-13-12(7-11)14(19-18-13)17-10-5-8(15)4-9(16)6-10/h2-7H,1H3,(H2,17,18,19)
InChIKeyDHLRNSNUAAUAEX-UHFFFAOYSA-N
XLogP3.59
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-5-methoxy-1H-indazol-3-amine?
The IUPAC name of N-(3,5-difluorophenyl)-5-methoxy-1H-indazol-3-amine (CID 69168351) is N-(3,5-difluorophenyl)-5-methoxy-1H-indazol-3-amine.
What is the SMILES notation for N-(3,5-difluorophenyl)-5-methoxy-1H-indazol-3-amine?
The canonical SMILES for N-(3,5-difluorophenyl)-5-methoxy-1H-indazol-3-amine is COc1ccc2[nH]nc(Nc3cc(F)cc(F)c3)c2c1.
What is the InChIKey of N-(3,5-difluorophenyl)-5-methoxy-1H-indazol-3-amine?
The InChIKey is DHLRNSNUAAUAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O/c1-20-11-2-3-13-12(7-11)14(19-18-13)17-10-5-8(15)4-9(16)6-10/h2-7H,1H3,(H2,17,18,19).
What are the key properties of N-(3,5-difluorophenyl)-5-methoxy-1H-indazol-3-amine?
N-(3,5-difluorophenyl)-5-methoxy-1H-indazol-3-amine has a molecular weight of 275.26 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-5-methoxy-1H-indazol-3-amine is sourced from PubChem (CID 69168351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).