N-[[2-(difluoromethoxy)phenyl]methyl]-1H-indazol-7-amine

C15H13F2N3O — CID 43730919

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-1H-indazol-7-amine
SMILESFC(F)Oc1ccccc1CNc1cccc2cn[nH]c12
InChIInChI=1S/C15H13F2N3O/c16-15(17)21-13-7-2-1-4-10(13)8-18-12-6-3-5-11-9-19-20-14(11)12/h1-7,9,15,18H,8H2,(H,19,20)
InChIKeySIJLIZHGEDAQGX-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.78
Rot. Bonds5

About N-[[2-(difluoromethoxy)phenyl]methyl]-1H-indazol-7-amine

N-[[2-(difluoromethoxy)phenyl]methyl]-1H-indazol-7-amine (PubChem CID 43730919) has the molecular formula C15H13F2N3O and a molecular weight of 289.29 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-1H-indazol-7-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-1H-indazol-7-amine
PubChem CID43730919
Molecular FormulaC15H13F2N3O
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-1H-indazol-7-amine
SMILESFC(F)Oc1ccccc1CNc1cccc2cn[nH]c12
InChIInChI=1S/C15H13F2N3O/c16-15(17)21-13-7-2-1-4-10(13)8-18-12-6-3-5-11-9-19-20-14(11)12/h1-7,9,15,18H,8H2,(H,19,20)
InChIKeySIJLIZHGEDAQGX-UHFFFAOYSA-N
XLogP3.78
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromophenyl)methyl]-1H-indazol-7-amine
CID 43730933
N-[(3-chloro-2-fluorophenyl)methyl]-1H-indazol-7-amine
CID 114487412
N-benzyl-1H-indazol-7-amine
CID 43730923
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline
CID 43683398
N-[[2-(difluoromethoxy)phenyl]methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 60912231
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-7-amine
CID 43731054
N-(2-ethylbutyl)-1H-indazol-7-amine
CID 43730884
1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine
CID 115280691
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-nitroaniline
CID 78883004
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1H-indazol-7-amine
CID 43730940
N-[(3-chloro-4-methoxyphenyl)methyl]-1H-indazol-7-amine
CID 65021798
4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoroaniline
CID 107609590

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-1H-indazol-7-amine?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-1H-indazol-7-amine (CID 43730919) is N-[[2-(difluoromethoxy)phenyl]methyl]-1H-indazol-7-amine.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-1H-indazol-7-amine?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-1H-indazol-7-amine is FC(F)Oc1ccccc1CNc1cccc2cn[nH]c12.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-1H-indazol-7-amine?
The InChIKey is SIJLIZHGEDAQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O/c16-15(17)21-13-7-2-1-4-10(13)8-18-12-6-3-5-11-9-19-20-14(11)12/h1-7,9,15,18H,8H2,(H,19,20).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-1H-indazol-7-amine?
N-[[2-(difluoromethoxy)phenyl]methyl]-1H-indazol-7-amine has a molecular weight of 289.29 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-1H-indazol-7-amine is sourced from PubChem (CID 43730919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).