N-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

C17H22N4O — CID 5309243

IUPACN-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCN(C)c1ccc(NC(=O)Cn2cc3c(n2)CCCC3)cc1
InChIInChI=1S/C17H22N4O/c1-20(2)15-9-7-14(8-10-15)18-17(22)12-21-11-13-5-3-4-6-16(13)19-21/h7-11H,3-6,12H2,1-2H3,(H,18,22)
InChIKeyBRRCHWQDGDENCF-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.47
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

N-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 5309243) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID5309243
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCN(C)c1ccc(NC(=O)Cn2cc3c(n2)CCCC3)cc1
InChIInChI=1S/C17H22N4O/c1-20(2)15-9-7-14(8-10-15)18-17(22)12-21-11-13-5-3-4-6-16(13)19-21/h7-11H,3-6,12H2,1-2H3,(H,18,22)
InChIKeyBRRCHWQDGDENCF-UHFFFAOYSA-N
XLogP2.47
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 5309243) is N-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is CN(C)c1ccc(NC(=O)Cn2cc3c(n2)CCCC3)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is BRRCHWQDGDENCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-20(2)15-9-7-14(8-10-15)18-17(22)12-21-11-13-5-3-4-6-16(13)19-21/h7-11H,3-6,12H2,1-2H3,(H,18,22).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 298.39 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 5309243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).