(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine

C15H19N3 — CID 94133505

IUPAC(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1ccc(-n2ncc3c2CCC[C@@H]3N)cc1C
InChIInChI=1S/C15H19N3/c1-10-6-7-12(8-11(10)2)18-15-5-3-4-14(16)13(15)9-17-18/h6-9,14H,3-5,16H2,1-2H3/t14-/m0/s1
InChIKeyXGTYWTRYVPDMEJ-AWEZNQCLSA-N
MW241.34 g/mol
LogP2.83
Rot. Bonds1

About (4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine

(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 94133505) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is (4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID94133505
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1ccc(-n2ncc3c2CCC[C@@H]3N)cc1C
InChIInChI=1S/C15H19N3/c1-10-6-7-12(8-11(10)2)18-15-5-3-4-14(16)13(15)9-17-18/h6-9,14H,3-5,16H2,1-2H3/t14-/m0/s1
InChIKeyXGTYWTRYVPDMEJ-AWEZNQCLSA-N
XLogP2.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 44819704
1-phenyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride
CID 129104721
1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384308
N-[(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopentanecarboxamide
CID 25384334
N-[(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylsulfanylacetamide
CID 42355689
N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide
CID 42359157
3-[(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,1-diethylurea
CID 97123460
1-(4,6-dimethylpyrimidin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384319
N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,4,4-trifluorobutanamide
CID 45211075
methyl 4-[[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]carbamoyl]benzoate
CID 24793406
N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-hydroxypyridine-2-carboxamide
CID 97134645
1-(6-methylpyridazin-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384433

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of (4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine (CID 94133505) is (4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for (4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for (4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine is Cc1ccc(-n2ncc3c2CCC[C@@H]3N)cc1C.
What is the InChIKey of (4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is XGTYWTRYVPDMEJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19N3/c1-10-6-7-12(8-11(10)2)18-15-5-3-4-14(16)13(15)9-17-18/h6-9,14H,3-5,16H2,1-2H3/t14-/m0/s1.
What are the key properties of (4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine?
(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 241.34 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 94133505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).