N-[1-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-1-oxopropan-2-yl]-3-methylbenzamide

C25H28N4O2 — CID 55886441

IUPACN-[1-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)C(=O)NC2CCCc3c2cnn3Cc2ccccc2)c1
InChIInChI=1S/C25H28N4O2/c1-17-8-6-11-20(14-17)25(31)27-18(2)24(30)28-22-12-7-13-23-21(22)15-26-29(23)16-19-9-4-3-5-10-19/h3-6,8-11,14-15,18,22H,7,12-13,16H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyNZHOZVAPRRKFCA-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.55
Rot. Bonds6

About N-[1-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-1-oxopropan-2-yl]-3-methylbenzamide

N-[1-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-1-oxopropan-2-yl]-3-methylbenzamide (PubChem CID 55886441) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[1-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-1-oxopropan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-1-oxopropan-2-yl]-3-methylbenzamide
PubChem CID55886441
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-[1-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)C(=O)NC2CCCc3c2cnn3Cc2ccccc2)c1
InChIInChI=1S/C25H28N4O2/c1-17-8-6-11-20(14-17)25(31)27-18(2)24(30)28-22-12-7-13-23-21(22)15-26-29(23)16-19-9-4-3-5-10-19/h3-6,8-11,14-15,18,22H,7,12-13,16H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyNZHOZVAPRRKFCA-UHFFFAOYSA-N
XLogP3.55
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-1-oxopropan-2-yl]-3-methylbenzamide with MolForge

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Related Compounds

N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide
CID 31897730
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dimethylamino)benzamide
CID 51939181
N-[4-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-4-oxobutan-2-yl]benzamide
CID 55622490
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-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea
CID 94187302
N-[1-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2-phenylpropanamide
CID 110237441
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 55622399
1-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methylphenyl)urea
CID 51939747
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
CID 52513366
1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-hydroxybutan-2-yl)urea
CID 110892499

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-1-oxopropan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[1-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-1-oxopropan-2-yl]-3-methylbenzamide (CID 55886441) is N-[1-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-1-oxopropan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-1-oxopropan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-1-oxopropan-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)NC(C)C(=O)NC2CCCc3c2cnn3Cc2ccccc2)c1.
What is the InChIKey of N-[1-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-1-oxopropan-2-yl]-3-methylbenzamide?
The InChIKey is NZHOZVAPRRKFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-17-8-6-11-20(14-17)25(31)27-18(2)24(30)28-22-12-7-13-23-21(22)15-26-29(23)16-19-9-4-3-5-10-19/h3-6,8-11,14-15,18,22H,7,12-13,16H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of N-[1-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-1-oxopropan-2-yl]-3-methylbenzamide?
N-[1-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-1-oxopropan-2-yl]-3-methylbenzamide has a molecular weight of 416.53 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-1-oxopropan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 55886441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).