N-[1-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2-phenylpropanamide

C23H24ClN3O — CID 110237441

IUPACN-[1-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2-phenylpropanamide
SMILESCC(C(=O)NC1CCCc2c1cnn2Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C23H24ClN3O/c1-16(18-6-3-2-4-7-18)23(28)26-21-8-5-9-22-20(21)14-25-27(22)15-17-10-12-19(24)13-11-17/h2-4,6-7,10-14,16,21H,5,8-9,15H2,1H3,(H,26,28)
InChIKeyVMYVZYRJFSDZHQ-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.88
Rot. Bonds5

About N-[1-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2-phenylpropanamide

N-[1-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2-phenylpropanamide (PubChem CID 110237441) has the molecular formula C23H24ClN3O and a molecular weight of 393.92 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2-phenylpropanamide
PubChem CID110237441
Molecular FormulaC23H24ClN3O
Molecular Weight393.92 g/mol
Exact Mass393.16
IUPAC NameN-[1-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2-phenylpropanamide
SMILESCC(C(=O)NC1CCCc2c1cnn2Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C23H24ClN3O/c1-16(18-6-3-2-4-7-18)23(28)26-21-8-5-9-22-20(21)14-25-27(22)15-17-10-12-19(24)13-11-17/h2-4,6-7,10-14,16,21H,5,8-9,15H2,1H3,(H,26,28)
InChIKeyVMYVZYRJFSDZHQ-UHFFFAOYSA-N
XLogP4.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanylpropanamide
CID 46402155
N-[(4S)-1-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]pyridine-4-carboxamide
CID 95856441
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
CID 52513366
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-chloro-1-propan-2-ylpyrazole-4-carboxamide
CID 167848496
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-chloro-2-fluorobenzamide
CID 42957312
1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea
CID 94187302
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)-2-methoxy-2-(oxan-4-yl)acetamide
CID 167830345
1-benzyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide
CID 167862011
N-[1-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 55886441
1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-hydroxybutan-2-yl)urea
CID 110892499
N-[4-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-4-oxobutan-2-yl]benzamide
CID 55622490

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2-phenylpropanamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2-phenylpropanamide (CID 110237441) is N-[1-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2-phenylpropanamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2-phenylpropanamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2-phenylpropanamide is CC(C(=O)NC1CCCc2c1cnn2Cc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2-phenylpropanamide?
The InChIKey is VMYVZYRJFSDZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O/c1-16(18-6-3-2-4-7-18)23(28)26-21-8-5-9-22-20(21)14-25-27(22)15-17-10-12-19(24)13-11-17/h2-4,6-7,10-14,16,21H,5,8-9,15H2,1H3,(H,26,28).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2-phenylpropanamide?
N-[1-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2-phenylpropanamide has a molecular weight of 393.92 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2-phenylpropanamide is sourced from PubChem (CID 110237441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).