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

C18H25N3 — CID 65356831

IUPAC1-[(3-methylphenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCCNC1CCCc2c1cnn2Cc1cccc(C)c1
InChIInChI=1S/C18H25N3/c1-3-10-19-17-8-5-9-18-16(17)12-20-21(18)13-15-7-4-6-14(2)11-15/h4,6-7,11-12,17,19H,3,5,8-10,13H2,1-2H3
InChIKeyVBLTWKRZFKQFOZ-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.62
Rot. Bonds5

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

1-[(3-methylphenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 65356831) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID65356831
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-[(3-methylphenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCCNC1CCCc2c1cnn2Cc1cccc(C)c1
InChIInChI=1S/C18H25N3/c1-3-10-19-17-8-5-9-18-16(17)12-20-21(18)13-15-7-4-6-14(2)11-15/h4,6-7,11-12,17,19H,3,5,8-10,13H2,1-2H3
InChIKeyVBLTWKRZFKQFOZ-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-methylphenyl)methyl]-N-propyl-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

Fezolamine
CID 54567
(2S)-1-(6-fluoroindazol-1-yl)propan-2-amine
CID 9859429
1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 21219157
(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
CID 43817898
(S)-1-(5-Fluoro-1H-indazol-1-yl)propan-2-amine
CID 44452853
1-ethyl-3-methyl-4-[(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 2986538
1-Benzyl-4-(5-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 9949442
1-Methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole
CID 11573361
3-phenyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine
CID 24873384
1h-Pyrazolo[4,3-c]pyridine,3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-(phenylmethyl)-,hydrochloride
CID 45263015
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]acetamide
CID 23723467
3-(4-Fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 44384532

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-[(3-methylphenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine (CID 65356831) is 1-[(3-methylphenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine is CCCNC1CCCc2c1cnn2Cc1cccc(C)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is VBLTWKRZFKQFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-10-19-17-8-5-9-18-16(17)12-20-21(18)13-15-7-4-6-14(2)11-15/h4,6-7,11-12,17,19H,3,5,8-10,13H2,1-2H3.
What are the key properties of 1-[(3-methylphenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine?
1-[(3-methylphenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 283.42 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 65356831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).