3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

C17H23N3 — CID 82592089

IUPAC3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
SMILESCC(C)(C)c1ccc(-c2n[nH]c3c2C(N)CCC3)cc1
InChIInChI=1S/C17H23N3/c1-17(2,3)12-9-7-11(8-10-12)16-15-13(18)5-4-6-14(15)19-20-16/h7-10,13H,4-6,18H2,1-3H3,(H,19,20)
InChIKeySGHPNIKTFMVABH-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.71
Rot. Bonds1

About 3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine (PubChem CID 82592089) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
PubChem CID82592089
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
SMILESCC(C)(C)c1ccc(-c2n[nH]c3c2C(N)CCC3)cc1
InChIInChI=1S/C17H23N3/c1-17(2,3)12-9-7-11(8-10-12)16-15-13(18)5-4-6-14(15)19-20-16/h7-10,13H,4-6,18H2,1-3H3,(H,19,20)
InChIKeySGHPNIKTFMVABH-UHFFFAOYSA-N
XLogP3.71
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine?
The IUPAC name of 3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine (CID 82592089) is 3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine.
What is the SMILES notation for 3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine?
The canonical SMILES for 3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine is CC(C)(C)c1ccc(-c2n[nH]c3c2C(N)CCC3)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine?
The InChIKey is SGHPNIKTFMVABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-17(2,3)12-9-7-11(8-10-12)16-15-13(18)5-4-6-14(15)19-20-16/h7-10,13H,4-6,18H2,1-3H3,(H,19,20).
What are the key properties of 3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine?
3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine has a molecular weight of 269.39 g/mol, XLogP of 3.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine is sourced from PubChem (CID 82592089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).