N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dimethylamino)benzamide

C23H26N4O — CID 51939181

IUPACN-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c1
InChIInChI=1S/C23H26N4O/c1-26(2)19-11-6-10-18(14-19)23(28)25-21-12-7-13-22-20(21)15-24-27(22)16-17-8-4-3-5-9-17/h3-6,8-11,14-15,21H,7,12-13,16H2,1-2H3,(H,25,28)/t21-/m0/s1
InChIKeyPNGBRIDXFKGEKM-NRFANRHFSA-N
MW374.49 g/mol
LogP3.80
Rot. Bonds5

About N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dimethylamino)benzamide

N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dimethylamino)benzamide (PubChem CID 51939181) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dimethylamino)benzamide
PubChem CID51939181
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c1
InChIInChI=1S/C23H26N4O/c1-26(2)19-11-6-10-18(14-19)23(28)25-21-12-7-13-22-20(21)15-24-27(22)16-17-8-4-3-5-9-17/h3-6,8-11,14-15,21H,7,12-13,16H2,1-2H3,(H,25,28)/t21-/m0/s1
InChIKeyPNGBRIDXFKGEKM-NRFANRHFSA-N
XLogP3.80
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide
CID 31897730
N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-nitrobenzamide
CID 51939030
N-[1-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 55886441
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-iodobenzamide
CID 55620439
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-hydroxy-5-methylbenzamide
CID 46416483
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-butoxy-3-methoxybenzamide
CID 46424764
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)-4-chloro-2-fluorobenzamide
CID 42957312
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2,5-difluorobenzamide
CID 31899002
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)-4-(cyclopropylsulfamoyl)benzamide
CID 167879462
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide
CID 94241603

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dimethylamino)benzamide?
The IUPAC name of N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dimethylamino)benzamide (CID 51939181) is N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dimethylamino)benzamide?
The canonical SMILES for N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dimethylamino)benzamide is CN(C)c1cccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c1.
What is the InChIKey of N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dimethylamino)benzamide?
The InChIKey is PNGBRIDXFKGEKM-NRFANRHFSA-N. The full InChI is InChI=1S/C23H26N4O/c1-26(2)19-11-6-10-18(14-19)23(28)25-21-12-7-13-22-20(21)15-24-27(22)16-17-8-4-3-5-9-17/h3-6,8-11,14-15,21H,7,12-13,16H2,1-2H3,(H,25,28)/t21-/m0/s1.
What are the key properties of N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dimethylamino)benzamide?
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dimethylamino)benzamide has a molecular weight of 374.49 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 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]-3-(dimethylamino)benzamide is sourced from PubChem (CID 51939181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).