N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1H-indazol-5-amine

C16H15N3O3 — CID 23734124

IUPACN-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1H-indazol-5-amine
SMILESCOc1cc(CNc2ccc3[nH]ncc3c2)cc2c1OCO2
InChIInChI=1S/C16H15N3O3/c1-20-14-4-10(5-15-16(14)22-9-21-15)7-17-12-2-3-13-11(6-12)8-18-19-13/h2-6,8,17H,7,9H2,1H3,(H,18,19)
InChIKeyXHMCDMGVMCZGNC-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.91
Rot. Bonds4

About N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1H-indazol-5-amine

N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1H-indazol-5-amine (PubChem CID 23734124) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1H-indazol-5-amine
PubChem CID23734124
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1H-indazol-5-amine
SMILESCOc1cc(CNc2ccc3[nH]ncc3c2)cc2c1OCO2
InChIInChI=1S/C16H15N3O3/c1-20-14-4-10(5-15-16(14)22-9-21-15)7-17-12-2-3-13-11(6-12)8-18-19-13/h2-6,8,17H,7,9H2,1H3,(H,18,19)
InChIKeyXHMCDMGVMCZGNC-UHFFFAOYSA-N
XLogP2.91
TPSA68.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-methylsulfanylaniline
CID 115585072
[3-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]phenyl]methanol
CID 115686476
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 115607997
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2,2-dimethylpropan-1-amine
CID 115592517
6-fluoro-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyridin-2-amine
CID 116813065
N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine
CID 43690856
N,N'-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]heptane-1,7-diamine
CID 53484108
N-[(2,4,5-trimethylphenyl)methyl]-1H-indazol-5-amine
CID 43782695
N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine
CID 43231004
2-ethoxy-4-[(1H-indazol-5-ylamino)methyl]phenol
CID 43690855
4-chloro-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]aniline
CID 60792939
N,N'-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propane-1,3-diamine
CID 134686709

Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1H-indazol-5-amine?
The IUPAC name of N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1H-indazol-5-amine (CID 23734124) is N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1H-indazol-5-amine.
What is the SMILES notation for N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1H-indazol-5-amine?
The canonical SMILES for N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1H-indazol-5-amine is COc1cc(CNc2ccc3[nH]ncc3c2)cc2c1OCO2.
What is the InChIKey of N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1H-indazol-5-amine?
The InChIKey is XHMCDMGVMCZGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-20-14-4-10(5-15-16(14)22-9-21-15)7-17-12-2-3-13-11(6-12)8-18-19-13/h2-6,8,17H,7,9H2,1H3,(H,18,19).
What are the key properties of N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1H-indazol-5-amine?
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1H-indazol-5-amine has a molecular weight of 297.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1H-indazol-5-amine is sourced from PubChem (CID 23734124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).