3-[(5-aminoindazol-1-yl)methyl]-N-tert-butylbenzamide

C19H22N4O — CID 68669237

IUPAC3-[(5-aminoindazol-1-yl)methyl]-N-tert-butylbenzamide
SMILESCC(C)(C)NC(=O)c1cccc(Cn2ncc3cc(N)ccc32)c1
InChIInChI=1S/C19H22N4O/c1-19(2,3)22-18(24)14-6-4-5-13(9-14)12-23-17-8-7-16(20)10-15(17)11-21-23/h4-11H,12,20H2,1-3H3,(H,22,24)
InChIKeyZNSFNSUPQXYMJN-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.20
Rot. Bonds3

About 3-[(5-aminoindazol-1-yl)methyl]-N-tert-butylbenzamide

3-[(5-aminoindazol-1-yl)methyl]-N-tert-butylbenzamide (PubChem CID 68669237) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-[(5-aminoindazol-1-yl)methyl]-N-tert-butylbenzamide.

Molecular Properties

Compound Name3-[(5-aminoindazol-1-yl)methyl]-N-tert-butylbenzamide
PubChem CID68669237
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name3-[(5-aminoindazol-1-yl)methyl]-N-tert-butylbenzamide
SMILESCC(C)(C)NC(=O)c1cccc(Cn2ncc3cc(N)ccc32)c1
InChIInChI=1S/C19H22N4O/c1-19(2,3)22-18(24)14-6-4-5-13(9-14)12-23-17-8-7-16(20)10-15(17)11-21-23/h4-11H,12,20H2,1-3H3,(H,22,24)
InChIKeyZNSFNSUPQXYMJN-UHFFFAOYSA-N
XLogP3.20
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-1-benzylindazole-5-carboxamide
CID 78325027
2-(5-aminoindazol-1-yl)-N-methylacetamide
CID 89156128
6-[(5-aminoindol-1-yl)methyl]-N-tert-butylpyridine-2-carboxamide
CID 68669781
(2S)-2-amino-3-[3-(tert-butylcarbamoyl)phenyl]propanoic acid
CID 139521017
1-(naphthalen-2-ylmethyl)indazole-5-carboxylic acid
CID 169188030
(2R)-1-(5-aminoindazol-1-yl)propan-2-ol
CID 125481302
1-[(4-phenylphenyl)methyl]indazole-5-carboxylic acid
CID 169187967
1-[(2-methyl-1,3-thiazol-5-yl)methyl]indazol-5-amine
CID 68619298
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498520
5-amino-N-tert-butyl-1-benzofuran-2-carboxamide
CID 61092383
3-amino-N-(2-methylpentan-2-yl)benzamide;hydrochloride
CID 119763292
1-[3-(methylamino)propyl]indazol-5-amine
CID 142717359

Frequently Asked Questions

What is the IUPAC name of 3-[(5-aminoindazol-1-yl)methyl]-N-tert-butylbenzamide?
The IUPAC name of 3-[(5-aminoindazol-1-yl)methyl]-N-tert-butylbenzamide (CID 68669237) is 3-[(5-aminoindazol-1-yl)methyl]-N-tert-butylbenzamide.
What is the SMILES notation for 3-[(5-aminoindazol-1-yl)methyl]-N-tert-butylbenzamide?
The canonical SMILES for 3-[(5-aminoindazol-1-yl)methyl]-N-tert-butylbenzamide is CC(C)(C)NC(=O)c1cccc(Cn2ncc3cc(N)ccc32)c1.
What is the InChIKey of 3-[(5-aminoindazol-1-yl)methyl]-N-tert-butylbenzamide?
The InChIKey is ZNSFNSUPQXYMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-19(2,3)22-18(24)14-6-4-5-13(9-14)12-23-17-8-7-16(20)10-15(17)11-21-23/h4-11H,12,20H2,1-3H3,(H,22,24).
What are the key properties of 3-[(5-aminoindazol-1-yl)methyl]-N-tert-butylbenzamide?
3-[(5-aminoindazol-1-yl)methyl]-N-tert-butylbenzamide has a molecular weight of 322.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-aminoindazol-1-yl)methyl]-N-tert-butylbenzamide is sourced from PubChem (CID 68669237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).