(4S)-1-benzyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine

C22H25N3 — CID 34543294

IUPAC(4S)-1-benzyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1cccc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)c1
InChIInChI=1S/C22H25N3/c1-17-7-5-10-19(13-17)14-23-21-11-6-12-22-20(21)15-24-25(22)16-18-8-3-2-4-9-18/h2-5,7-10,13,15,21,23H,6,11-12,14,16H2,1H3/t21-/m0/s1
InChIKeyKKBHQDLLWJRBJL-NRFANRHFSA-N
MW331.46 g/mol
LogP4.41
Rot. Bonds5

About (4S)-1-benzyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine

(4S)-1-benzyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 34543294) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is (4S)-1-benzyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name(4S)-1-benzyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID34543294
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC Name(4S)-1-benzyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1cccc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)c1
InChIInChI=1S/C22H25N3/c1-17-7-5-10-19(13-17)14-23-21-11-6-12-22-20(21)15-24-25(22)16-18-8-3-2-4-9-18/h2-5,7-10,13,15,21,23H,6,11-12,14,16H2,1H3/t21-/m0/s1
InChIKeyKKBHQDLLWJRBJL-NRFANRHFSA-N
XLogP4.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylphenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356831
1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 86772207
N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide
CID 31897730
1-benzyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 55630003
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-hydroxy-5-methylbenzamide
CID 46416483
N-[1-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 55886441
2-[4-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752494
2-[4-[(3-bromophenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752493
1-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methylphenyl)urea
CID 51939747
N-ethyl-1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384471
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
CID 52513366

Frequently Asked Questions

What is the IUPAC name of (4S)-1-benzyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of (4S)-1-benzyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (CID 34543294) is (4S)-1-benzyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for (4S)-1-benzyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for (4S)-1-benzyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is Cc1cccc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)c1.
What is the InChIKey of (4S)-1-benzyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is KKBHQDLLWJRBJL-NRFANRHFSA-N. The full InChI is InChI=1S/C22H25N3/c1-17-7-5-10-19(13-17)14-23-21-11-6-12-22-20(21)15-24-25(22)16-18-8-3-2-4-9-18/h2-5,7-10,13,15,21,23H,6,11-12,14,16H2,1H3/t21-/m0/s1.
What are the key properties of (4S)-1-benzyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
(4S)-1-benzyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 331.46 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-benzyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 34543294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).