N-(3,5-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine

C16H17N3O2 — CID 162661341

IUPACN-(3,5-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine
SMILESCOc1cc(Nc2n[nH]c3cc(C)ccc23)cc(OC)c1
InChIInChI=1S/C16H17N3O2/c1-10-4-5-14-15(6-10)18-19-16(14)17-11-7-12(20-2)9-13(8-11)21-3/h4-9H,1-3H3,(H2,17,18,19)
InChIKeyJOLFRTTXSDQNHM-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.63
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine

N-(3,5-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine (PubChem CID 162661341) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine
PubChem CID162661341
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-(3,5-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine
SMILESCOc1cc(Nc2n[nH]c3cc(C)ccc23)cc(OC)c1
InChIInChI=1S/C16H17N3O2/c1-10-4-5-14-15(6-10)18-19-16(14)17-11-7-12(20-2)9-13(8-11)21-3/h4-9H,1-3H3,(H2,17,18,19)
InChIKeyJOLFRTTXSDQNHM-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

CID 156696051
CID 156696051
CID 156696053
CID 156696053
CID 122195167
CID 122195167
CID 137635177
CID 137635177
CID 162654743
CID 162654743
CID 162657553
CID 162657553
CID 162644377
CID 162644377
CID 162647414
CID 162647414
CID 162650171
CID 162650171
CID 162653085
CID 162653085
CID 16050948
CID 16050948
CID 155510532
CID 155510532

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine (CID 162661341) is N-(3,5-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine is COc1cc(Nc2n[nH]c3cc(C)ccc23)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine?
The InChIKey is JOLFRTTXSDQNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-4-5-14-15(6-10)18-19-16(14)17-11-7-12(20-2)9-13(8-11)21-3/h4-9H,1-3H3,(H2,17,18,19).
What are the key properties of N-(3,5-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine?
N-(3,5-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-(3,5-dimethoxyphenyl)-6-methyl-1H-indazol-3-amine is sourced from PubChem (CID 162661341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).