N-(1-phenylbutan-2-yl)-1H-indazol-5-amine

C17H19N3 — CID 79007288

IUPACN-(1-phenylbutan-2-yl)-1H-indazol-5-amine
SMILESCCC(Cc1ccccc1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C17H19N3/c1-2-15(10-13-6-4-3-5-7-13)19-16-8-9-17-14(11-16)12-18-20-17/h3-9,11-12,15,19H,2,10H2,1H3,(H,18,20)
InChIKeyLJXWZSZDNGXICY-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.00
Rot. Bonds5

About N-(1-phenylbutan-2-yl)-1H-indazol-5-amine

N-(1-phenylbutan-2-yl)-1H-indazol-5-amine (PubChem CID 79007288) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(1-phenylbutan-2-yl)-1H-indazol-5-amine.

Molecular Properties

Compound NameN-(1-phenylbutan-2-yl)-1H-indazol-5-amine
PubChem CID79007288
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-(1-phenylbutan-2-yl)-1H-indazol-5-amine
SMILESCCC(Cc1ccccc1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C17H19N3/c1-2-15(10-13-6-4-3-5-7-13)19-16-8-9-17-14(11-16)12-18-20-17/h3-9,11-12,15,19H,2,10H2,1H3,(H,18,20)
InChIKeyLJXWZSZDNGXICY-UHFFFAOYSA-N
XLogP4.00
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbutan-2-yl)-1H-indazol-5-amine?
The IUPAC name of N-(1-phenylbutan-2-yl)-1H-indazol-5-amine (CID 79007288) is N-(1-phenylbutan-2-yl)-1H-indazol-5-amine.
What is the SMILES notation for N-(1-phenylbutan-2-yl)-1H-indazol-5-amine?
The canonical SMILES for N-(1-phenylbutan-2-yl)-1H-indazol-5-amine is CCC(Cc1ccccc1)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of N-(1-phenylbutan-2-yl)-1H-indazol-5-amine?
The InChIKey is LJXWZSZDNGXICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-2-15(10-13-6-4-3-5-7-13)19-16-8-9-17-14(11-16)12-18-20-17/h3-9,11-12,15,19H,2,10H2,1H3,(H,18,20).
What are the key properties of N-(1-phenylbutan-2-yl)-1H-indazol-5-amine?
N-(1-phenylbutan-2-yl)-1H-indazol-5-amine has a molecular weight of 265.36 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylbutan-2-yl)-1H-indazol-5-amine is sourced from PubChem (CID 79007288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).