N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide

C22H23N3O2 — CID 52513366

IUPACN-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccccc1O)N[C@H]1CCCc2c1cnn2Cc1ccccc1
InChIInChI=1S/C22H23N3O2/c26-21-12-5-4-9-17(21)13-22(27)24-19-10-6-11-20-18(19)14-23-25(20)15-16-7-2-1-3-8-16/h1-5,7-9,12,14,19,26H,6,10-11,13,15H2,(H,24,27)/t19-/m0/s1
InChIKeyBLFTYPBVVNTWBR-IBGZPJMESA-N
MW361.44 g/mol
LogP3.37
Rot. Bonds5

About N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide

N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide (PubChem CID 52513366) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
PubChem CID52513366
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC NameN-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccccc1O)N[C@H]1CCCc2c1cnn2Cc1ccccc1
InChIInChI=1S/C22H23N3O2/c26-21-12-5-4-9-17(21)13-22(27)24-19-10-6-11-20-18(19)14-23-25(20)15-16-7-2-1-3-8-16/h1-5,7-9,12,14,19,26H,6,10-11,13,15H2,(H,24,27)/t19-/m0/s1
InChIKeyBLFTYPBVVNTWBR-IBGZPJMESA-N
XLogP3.37
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide 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

N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 31897688
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanylpropanamide
CID 46402155
1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea
CID 94187302
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 86989860
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(6-oxopiperidin-2-yl)propanamide
CID 167746657
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-hydroxy-5-methylbenzamide
CID 46416483
1-benzyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide
CID 167862011
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-iodobenzamide
CID 55620439
N-[4-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-4-oxobutan-2-yl]benzamide
CID 55622490
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-8-ethylquinoline-2-carboxamide
CID 167925388
3-(benzotriazol-1-yl)-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 110236779
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 55637955

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide?
The IUPAC name of N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide (CID 52513366) is N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide?
The canonical SMILES for N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide is O=C(Cc1ccccc1O)N[C@H]1CCCc2c1cnn2Cc1ccccc1.
What is the InChIKey of N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide?
The InChIKey is BLFTYPBVVNTWBR-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23N3O2/c26-21-12-5-4-9-17(21)13-22(27)24-19-10-6-11-20-18(19)14-23-25(20)15-16-7-2-1-3-8-16/h1-5,7-9,12,14,19,26H,6,10-11,13,15H2,(H,24,27)/t19-/m0/s1.
What are the key properties of N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide?
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide has a molecular weight of 361.44 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 52513366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).