N-(4-methylphenyl)-1-(2-methylpropyl)indazol-5-amine

C18H21N3 — CID 67413957

IUPACN-(4-methylphenyl)-1-(2-methylpropyl)indazol-5-amine
SMILESCc1ccc(Nc2ccc3c(cnn3CC(C)C)c2)cc1
InChIInChI=1S/C18H21N3/c1-13(2)12-21-18-9-8-17(10-15(18)11-19-21)20-16-6-4-14(3)5-7-16/h4-11,13,20H,12H2,1-3H3
InChIKeyDNGSARDRJLRWOH-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.74
Rot. Bonds4

About N-(4-methylphenyl)-1-(2-methylpropyl)indazol-5-amine

N-(4-methylphenyl)-1-(2-methylpropyl)indazol-5-amine (PubChem CID 67413957) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-(2-methylpropyl)indazol-5-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-(2-methylpropyl)indazol-5-amine
PubChem CID67413957
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-(4-methylphenyl)-1-(2-methylpropyl)indazol-5-amine
SMILESCc1ccc(Nc2ccc3c(cnn3CC(C)C)c2)cc1
InChIInChI=1S/C18H21N3/c1-13(2)12-21-18-9-8-17(10-15(18)11-19-21)20-16-6-4-14(3)5-7-16/h4-11,13,20H,12H2,1-3H3
InChIKeyDNGSARDRJLRWOH-UHFFFAOYSA-N
XLogP4.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-(2-methylpropyl)indazol-5-amine?
The IUPAC name of N-(4-methylphenyl)-1-(2-methylpropyl)indazol-5-amine (CID 67413957) is N-(4-methylphenyl)-1-(2-methylpropyl)indazol-5-amine.
What is the SMILES notation for N-(4-methylphenyl)-1-(2-methylpropyl)indazol-5-amine?
The canonical SMILES for N-(4-methylphenyl)-1-(2-methylpropyl)indazol-5-amine is Cc1ccc(Nc2ccc3c(cnn3CC(C)C)c2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-(2-methylpropyl)indazol-5-amine?
The InChIKey is DNGSARDRJLRWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-13(2)12-21-18-9-8-17(10-15(18)11-19-21)20-16-6-4-14(3)5-7-16/h4-11,13,20H,12H2,1-3H3.
What are the key properties of N-(4-methylphenyl)-1-(2-methylpropyl)indazol-5-amine?
N-(4-methylphenyl)-1-(2-methylpropyl)indazol-5-amine has a molecular weight of 279.39 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-(2-methylpropyl)indazol-5-amine is sourced from PubChem (CID 67413957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).