4-[[[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]benzamide

C19H26N4O — CID 95762906

IUPAC4-[[[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]benzamide
SMILESCC(C)(C)n1ncc2c1CCC[C@@H]2NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H26N4O/c1-19(2,3)23-17-6-4-5-16(15(17)12-22-23)21-11-13-7-9-14(10-8-13)18(20)24/h7-10,12,16,21H,4-6,11H2,1-3H3,(H2,20,24)/t16-/m0/s1
InChIKeyFAMFRRTUVHRDGS-INIZCTEOSA-N
MW326.44 g/mol
LogP2.90
Rot. Bonds4

About 4-[[[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]benzamide

4-[[[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]benzamide (PubChem CID 95762906) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-[[[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]benzamide
PubChem CID95762906
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name4-[[[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]benzamide
SMILESCC(C)(C)n1ncc2c1CCC[C@@H]2NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H26N4O/c1-19(2,3)23-17-6-4-5-16(15(17)12-22-23)21-11-13-7-9-14(10-8-13)18(20)24/h7-10,12,16,21H,4-6,11H2,1-3H3,(H2,20,24)/t16-/m0/s1
InChIKeyFAMFRRTUVHRDGS-INIZCTEOSA-N
XLogP2.90
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]benzamide with MolForge

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Related Compounds

1-tert-butyl-N-(1H-imidazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 71933165
4-acetyl-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide
CID 51961532
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-4-[(S)-methylsulfinyl]benzamide
CID 94669043
N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(carbamoylamino)benzamide
CID 51124341
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[cyclohexyl(methyl)amino]acetamide
CID 94380801
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 52514919
N-[(4-bromophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43435391
2-[acetyl(methyl)amino]-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94669068
2-[acetyl(methyl)amino]-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94669069
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 124742117
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide
CID 95384960

Frequently Asked Questions

What is the IUPAC name of 4-[[[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]benzamide?
The IUPAC name of 4-[[[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]benzamide (CID 95762906) is 4-[[[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]benzamide?
The canonical SMILES for 4-[[[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]benzamide is CC(C)(C)n1ncc2c1CCC[C@@H]2NCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]benzamide?
The InChIKey is FAMFRRTUVHRDGS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4O/c1-19(2,3)23-17-6-4-5-16(15(17)12-22-23)21-11-13-7-9-14(10-8-13)18(20)24/h7-10,12,16,21H,4-6,11H2,1-3H3,(H2,20,24)/t16-/m0/s1.
What are the key properties of 4-[[[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]benzamide?
4-[[[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]benzamide has a molecular weight of 326.44 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]benzamide is sourced from PubChem (CID 95762906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).