4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide

C22H23N3O — CID 90613849

IUPAC4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ncc2c1CCCC2)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H23N3O/c26-22(19-12-10-18(11-13-19)17-6-2-1-3-7-17)23-14-15-25-21-9-5-4-8-20(21)16-24-25/h1-3,6-7,10-13,16H,4-5,8-9,14-15H2,(H,23,26)
InChIKeyHPBPQUHTBBCFKW-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.86
Rot. Bonds5

About 4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide

4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide (PubChem CID 90613849) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
PubChem CID90613849
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ncc2c1CCCC2)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H23N3O/c26-22(19-12-10-18(11-13-19)17-6-2-1-3-7-17)23-14-15-25-21-9-5-4-8-20(21)16-24-25/h1-3,6-7,10-13,16H,4-5,8-9,14-15H2,(H,23,26)
InChIKeyHPBPQUHTBBCFKW-UHFFFAOYSA-N
XLogP3.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613758
3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613816
2-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide
CID 90613712
3,4,5-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613866
2-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide
CID 90613700
4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]oxane-4-carboxamide
CID 90613860
2-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90613797
2,4-dichloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613838
1-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
CID 90613922
2,3,4-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613867
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-4-propylbenzamide
CID 90615148
3-methoxy-1-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrazole-4-carboxamide
CID 90613755

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide?
The IUPAC name of 4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide (CID 90613849) is 4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide?
The canonical SMILES for 4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide is O=C(NCCn1ncc2c1CCCC2)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide?
The InChIKey is HPBPQUHTBBCFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c26-22(19-12-10-18(11-13-19)17-6-2-1-3-7-17)23-14-15-25-21-9-5-4-8-20(21)16-24-25/h1-3,6-7,10-13,16H,4-5,8-9,14-15H2,(H,23,26).
What are the key properties of 4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide?
4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide has a molecular weight of 345.45 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 90613849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).