N-[(4-propan-2-ylphenyl)methyl]-1H-indazol-6-amine

C17H19N3 — CID 43229901

IUPACN-[(4-propan-2-ylphenyl)methyl]-1H-indazol-6-amine
SMILESCC(C)c1ccc(CNc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C17H19N3/c1-12(2)14-5-3-13(4-6-14)10-18-16-8-7-15-11-19-20-17(15)9-16/h3-9,11-12,18H,10H2,1-2H3,(H,19,20)
InChIKeyFTSXZGROYBNXLN-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.30
Rot. Bonds4

About N-[(4-propan-2-ylphenyl)methyl]-1H-indazol-6-amine

N-[(4-propan-2-ylphenyl)methyl]-1H-indazol-6-amine (PubChem CID 43229901) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(4-propan-2-ylphenyl)methyl]-1H-indazol-6-amine.

Molecular Properties

Compound NameN-[(4-propan-2-ylphenyl)methyl]-1H-indazol-6-amine
PubChem CID43229901
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-[(4-propan-2-ylphenyl)methyl]-1H-indazol-6-amine
SMILESCC(C)c1ccc(CNc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C17H19N3/c1-12(2)14-5-3-13(4-6-14)10-18-16-8-7-15-11-19-20-17(15)9-16/h3-9,11-12,18H,10H2,1-2H3,(H,19,20)
InChIKeyFTSXZGROYBNXLN-UHFFFAOYSA-N
XLogP4.30
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylphenyl)methyl]-1H-indazol-6-amine?
The IUPAC name of N-[(4-propan-2-ylphenyl)methyl]-1H-indazol-6-amine (CID 43229901) is N-[(4-propan-2-ylphenyl)methyl]-1H-indazol-6-amine.
What is the SMILES notation for N-[(4-propan-2-ylphenyl)methyl]-1H-indazol-6-amine?
The canonical SMILES for N-[(4-propan-2-ylphenyl)methyl]-1H-indazol-6-amine is CC(C)c1ccc(CNc2ccc3cn[nH]c3c2)cc1.
What is the InChIKey of N-[(4-propan-2-ylphenyl)methyl]-1H-indazol-6-amine?
The InChIKey is FTSXZGROYBNXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-12(2)14-5-3-13(4-6-14)10-18-16-8-7-15-11-19-20-17(15)9-16/h3-9,11-12,18H,10H2,1-2H3,(H,19,20).
What are the key properties of N-[(4-propan-2-ylphenyl)methyl]-1H-indazol-6-amine?
N-[(4-propan-2-ylphenyl)methyl]-1H-indazol-6-amine has a molecular weight of 265.36 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylphenyl)methyl]-1H-indazol-6-amine is sourced from PubChem (CID 43229901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).