1,6-dimethyl-N-(4-methylphenyl)indazol-5-amine

C16H17N3 — CID 170228522

IUPAC1,6-dimethyl-N-(4-methylphenyl)indazol-5-amine
SMILESCc1ccc(Nc2cc3cnn(C)c3cc2C)cc1
InChIInChI=1S/C16H17N3/c1-11-4-6-14(7-5-11)18-15-9-13-10-17-19(3)16(13)8-12(15)2/h4-10,18H,1-3H3
InChIKeyPLNRMCZEUINEHN-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.93
Rot. Bonds2

About 1,6-dimethyl-N-(4-methylphenyl)indazol-5-amine

1,6-dimethyl-N-(4-methylphenyl)indazol-5-amine (PubChem CID 170228522) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1,6-dimethyl-N-(4-methylphenyl)indazol-5-amine.

Molecular Properties

Compound Name1,6-dimethyl-N-(4-methylphenyl)indazol-5-amine
PubChem CID170228522
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1,6-dimethyl-N-(4-methylphenyl)indazol-5-amine
SMILESCc1ccc(Nc2cc3cnn(C)c3cc2C)cc1
InChIInChI=1S/C16H17N3/c1-11-4-6-14(7-5-11)18-15-9-13-10-17-19(3)16(13)8-12(15)2/h4-10,18H,1-3H3
InChIKeyPLNRMCZEUINEHN-UHFFFAOYSA-N
XLogP3.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-N-(4-methylphenyl)indazol-5-amine?
The IUPAC name of 1,6-dimethyl-N-(4-methylphenyl)indazol-5-amine (CID 170228522) is 1,6-dimethyl-N-(4-methylphenyl)indazol-5-amine.
What is the SMILES notation for 1,6-dimethyl-N-(4-methylphenyl)indazol-5-amine?
The canonical SMILES for 1,6-dimethyl-N-(4-methylphenyl)indazol-5-amine is Cc1ccc(Nc2cc3cnn(C)c3cc2C)cc1.
What is the InChIKey of 1,6-dimethyl-N-(4-methylphenyl)indazol-5-amine?
The InChIKey is PLNRMCZEUINEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-11-4-6-14(7-5-11)18-15-9-13-10-17-19(3)16(13)8-12(15)2/h4-10,18H,1-3H3.
What are the key properties of 1,6-dimethyl-N-(4-methylphenyl)indazol-5-amine?
1,6-dimethyl-N-(4-methylphenyl)indazol-5-amine has a molecular weight of 251.33 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-N-(4-methylphenyl)indazol-5-amine is sourced from PubChem (CID 170228522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).