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

C17H22N2 — CID 117061879

IUPAC3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazole
SMILESCC(C)(C)c1ccc(-c2n[nH]c3c2CCCC3)cc1
InChIInChI=1S/C17H22N2/c1-17(2,3)13-10-8-12(9-11-13)16-14-6-4-5-7-15(14)18-19-16/h8-11H,4-7H2,1-3H3,(H,18,19)
InChIKeyAXCALCMCLRMQOU-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.25
Rot. Bonds1

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

3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 117061879) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazole
PubChem CID117061879
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazole
SMILESCC(C)(C)c1ccc(-c2n[nH]c3c2CCCC3)cc1
InChIInChI=1S/C17H22N2/c1-17(2,3)13-10-8-12(9-11-13)16-14-6-4-5-7-15(14)18-19-16/h8-11H,4-7H2,1-3H3,(H,18,19)
InChIKeyAXCALCMCLRMQOU-UHFFFAOYSA-N
XLogP4.25
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-tert-butylphenyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 3085913
3-(4-bromophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
CID 169337120
3-(4-pyrrolidin-1-ylphenyl)-4,5,6,7-tetrahydro-1H-indazole
CID 168515124
3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 82592089
3-(4-tert-butylphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110539351
N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)aniline
CID 166272050
[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)phenyl]thiourea
CID 169359415
5-methyl-3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82585641
2-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)phenyl]isoindole-1,3-dione
CID 168519342
3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)pyrazin-2-yl]-4,5,6,7-tetrahydro-1H-indazole
CID 156661602
3-pyrimidin-2-yl-4,5,6,7-tetrahydro-1H-indazole
CID 123838523
3-(4-tert-butylphenyl)-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 45241472

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazole (CID 117061879) is 3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazole is CC(C)(C)c1ccc(-c2n[nH]c3c2CCCC3)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is AXCALCMCLRMQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-17(2,3)13-10-8-12(9-11-13)16-14-6-4-5-7-15(14)18-19-16/h8-11H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazole?
3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 254.38 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 117061879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).