N-(3,4-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine

C16H17N3O2 — CID 162657553

IUPACN-(3,4-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine
SMILESCOc1ccc(Nc2n[nH]c3cc(C)ccc23)cc1OC
InChIInChI=1S/C16H17N3O2/c1-10-4-6-12-13(8-10)18-19-16(12)17-11-5-7-14(20-2)15(9-11)21-3/h4-9H,1-3H3,(H2,17,18,19)
InChIKeyDTQAZWFNLFDMJS-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.63
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine

N-(3,4-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine (PubChem CID 162657553) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine
PubChem CID162657553
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-(3,4-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine
SMILESCOc1ccc(Nc2n[nH]c3cc(C)ccc23)cc1OC
InChIInChI=1S/C16H17N3O2/c1-10-4-6-12-13(8-10)18-19-16(12)17-11-5-7-14(20-2)15(9-11)21-3/h4-9H,1-3H3,(H2,17,18,19)
InChIKeyDTQAZWFNLFDMJS-UHFFFAOYSA-N
XLogP3.63
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(1,3-benzodioxol-5-yl)urea
CID 122195472
Tubulin inhibitor 26
CID 156696051
6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine
CID 156696053
N-(3,4-dimethoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 71720505
1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea
CID 122195167
N-(3,4-difluorophenyl)-6-(trifluoromethoxy)-1H-indazol-3-amine
CID 137635177
N-(3,5-dimethoxyphenyl)-6-methoxy-1H-indazol-3-amine
CID 162654743
N-(3,5-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine
CID 162661341
6-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine
CID 162644377
5-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine
CID 162647414
4-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine
CID 162650171
7-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indazol-3-amine
CID 162653085

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine (CID 162657553) is N-(3,4-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine is COc1ccc(Nc2n[nH]c3cc(C)ccc23)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine?
The InChIKey is DTQAZWFNLFDMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-4-6-12-13(8-10)18-19-16(12)17-11-5-7-14(20-2)15(9-11)21-3/h4-9H,1-3H3,(H2,17,18,19).
What are the key properties of N-(3,4-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine?
N-(3,4-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine has a molecular weight of 283.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine is sourced from PubChem (CID 162657553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).