N-[(3,4-dimethoxyphenyl)methyl]-1H-indazol-5-amine

C16H17N3O2 — CID 23847733

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1H-indazol-5-amine
SMILESCOc1ccc(CNc2ccc3[nH]ncc3c2)cc1OC
InChIInChI=1S/C16H17N3O2/c1-20-15-6-3-11(7-16(15)21-2)9-17-13-4-5-14-12(8-13)10-18-19-14/h3-8,10,17H,9H2,1-2H3,(H,18,19)
InChIKeyNYNHABDWDFPUKW-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.19
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-1H-indazol-5-amine

N-[(3,4-dimethoxyphenyl)methyl]-1H-indazol-5-amine (PubChem CID 23847733) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1H-indazol-5-amine
PubChem CID23847733
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1H-indazol-5-amine
SMILESCOc1ccc(CNc2ccc3[nH]ncc3c2)cc1OC
InChIInChI=1S/C16H17N3O2/c1-20-15-6-3-11(7-16(15)21-2)9-17-13-4-5-14-12(8-13)10-18-19-14/h3-8,10,17H,9H2,1-2H3,(H,18,19)
InChIKeyNYNHABDWDFPUKW-UHFFFAOYSA-N
XLogP3.19
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1H-indazol-5-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1H-indazol-5-amine (CID 23847733) is N-[(3,4-dimethoxyphenyl)methyl]-1H-indazol-5-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1H-indazol-5-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1H-indazol-5-amine is COc1ccc(CNc2ccc3[nH]ncc3c2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1H-indazol-5-amine?
The InChIKey is NYNHABDWDFPUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-20-15-6-3-11(7-16(15)21-2)9-17-13-4-5-14-12(8-13)10-18-19-14/h3-8,10,17H,9H2,1-2H3,(H,18,19).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1H-indazol-5-amine?
N-[(3,4-dimethoxyphenyl)methyl]-1H-indazol-5-amine has a molecular weight of 283.33 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1H-indazol-5-amine is sourced from PubChem (CID 23847733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).