N-(1-phenylbutan-2-yl)-1H-indazol-4-amine

C17H19N3 — CID 79007531

IUPACN-(1-phenylbutan-2-yl)-1H-indazol-4-amine
SMILESCCC(Cc1ccccc1)Nc1cccc2[nH]ncc12
InChIInChI=1S/C17H19N3/c1-2-14(11-13-7-4-3-5-8-13)19-16-9-6-10-17-15(16)12-18-20-17/h3-10,12,14,19H,2,11H2,1H3,(H,18,20)
InChIKeyHUZSDBRBQVAPHV-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.00
Rot. Bonds5

About N-(1-phenylbutan-2-yl)-1H-indazol-4-amine

N-(1-phenylbutan-2-yl)-1H-indazol-4-amine (PubChem CID 79007531) 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-4-amine.

Molecular Properties

Compound NameN-(1-phenylbutan-2-yl)-1H-indazol-4-amine
PubChem CID79007531
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-(1-phenylbutan-2-yl)-1H-indazol-4-amine
SMILESCCC(Cc1ccccc1)Nc1cccc2[nH]ncc12
InChIInChI=1S/C17H19N3/c1-2-14(11-13-7-4-3-5-8-13)19-16-9-6-10-17-15(16)12-18-20-17/h3-10,12,14,19H,2,11H2,1H3,(H,18,20)
InChIKeyHUZSDBRBQVAPHV-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-4-amine?
The IUPAC name of N-(1-phenylbutan-2-yl)-1H-indazol-4-amine (CID 79007531) is N-(1-phenylbutan-2-yl)-1H-indazol-4-amine.
What is the SMILES notation for N-(1-phenylbutan-2-yl)-1H-indazol-4-amine?
The canonical SMILES for N-(1-phenylbutan-2-yl)-1H-indazol-4-amine is CCC(Cc1ccccc1)Nc1cccc2[nH]ncc12.
What is the InChIKey of N-(1-phenylbutan-2-yl)-1H-indazol-4-amine?
The InChIKey is HUZSDBRBQVAPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-2-14(11-13-7-4-3-5-8-13)19-16-9-6-10-17-15(16)12-18-20-17/h3-10,12,14,19H,2,11H2,1H3,(H,18,20).
What are the key properties of N-(1-phenylbutan-2-yl)-1H-indazol-4-amine?
N-(1-phenylbutan-2-yl)-1H-indazol-4-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-4-amine is sourced from PubChem (CID 79007531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).