N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide

C22H23N3O — CID 31897730

IUPACN-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1
InChIInChI=1S/C22H23N3O/c1-16-7-5-10-18(13-16)22(26)24-20-11-6-12-21-19(20)14-23-25(21)15-17-8-3-2-4-9-17/h2-5,7-10,13-14,20H,6,11-12,15H2,1H3,(H,24,26)/t20-/m1/s1
InChIKeyUABUENQTEIXGAL-HXUWFJFHSA-N
MW345.45 g/mol
LogP4.05
Rot. Bonds4

About N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide

N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide (PubChem CID 31897730) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide
PubChem CID31897730
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1
InChIInChI=1S/C22H23N3O/c1-16-7-5-10-18(13-16)22(26)24-20-11-6-12-21-19(20)14-23-25(21)15-17-8-3-2-4-9-17/h2-5,7-10,13-14,20H,6,11-12,15H2,1H3,(H,24,26)/t20-/m1/s1
InChIKeyUABUENQTEIXGAL-HXUWFJFHSA-N
XLogP4.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 55886441
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dimethylamino)benzamide
CID 51939181
N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-nitrobenzamide
CID 51939030
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-hydroxy-5-methylbenzamide
CID 46416483
(4S)-1-benzyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 34543294
1-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methylphenyl)urea
CID 51939747
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-iodobenzamide
CID 55620439
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-butoxy-3-methoxybenzamide
CID 46424764
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46402081
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

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide?
The IUPAC name of N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide (CID 31897730) is N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide.
What is the SMILES notation for N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide?
The canonical SMILES for N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide is Cc1cccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1.
What is the InChIKey of N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide?
The InChIKey is UABUENQTEIXGAL-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23N3O/c1-16-7-5-10-18(13-16)22(26)24-20-11-6-12-21-19(20)14-23-25(21)15-17-8-3-2-4-9-17/h2-5,7-10,13-14,20H,6,11-12,15H2,1H3,(H,24,26)/t20-/m1/s1.
What are the key properties of N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide?
N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide has a molecular weight of 345.45 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide is sourced from PubChem (CID 31897730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).