1-(3-methoxyphenyl)-6-methyl-3-propyl-4,5,6,7-tetrahydroindazole

C18H24N2O — CID 141028865

IUPAC1-(3-methoxyphenyl)-6-methyl-3-propyl-4,5,6,7-tetrahydroindazole
SMILESCCCc1nn(-c2cccc(OC)c2)c2c1CCC(C)C2
InChIInChI=1S/C18H24N2O/c1-4-6-17-16-10-9-13(2)11-18(16)20(19-17)14-7-5-8-15(12-14)21-3/h5,7-8,12-13H,4,6,9-11H2,1-3H3
InChIKeyJITQONXMKMGPHF-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.96
Rot. Bonds4

About 1-(3-methoxyphenyl)-6-methyl-3-propyl-4,5,6,7-tetrahydroindazole

1-(3-methoxyphenyl)-6-methyl-3-propyl-4,5,6,7-tetrahydroindazole (PubChem CID 141028865) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-6-methyl-3-propyl-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-6-methyl-3-propyl-4,5,6,7-tetrahydroindazole
PubChem CID141028865
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(3-methoxyphenyl)-6-methyl-3-propyl-4,5,6,7-tetrahydroindazole
SMILESCCCc1nn(-c2cccc(OC)c2)c2c1CCC(C)C2
InChIInChI=1S/C18H24N2O/c1-4-6-17-16-10-9-13(2)11-18(16)20(19-17)14-7-5-8-15(12-14)21-3/h5,7-8,12-13H,4,6,9-11H2,1-3H3
InChIKeyJITQONXMKMGPHF-UHFFFAOYSA-N
XLogP3.96
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-methoxyphenyl)-6-methyl-3-propyl-4,5,6,7-tetrahydroindazole 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-(3-methoxyphenyl)-6-propan-2-yl-3-propyl-4,5,6,7-tetrahydroindazole
CID 141028869
N-ethyl-1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 114797992
[1-(3-methoxyphenyl)-4,5,6,7-tetrahydrobenzotriazol-5-yl]methanamine
CID 115058168
1-(3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 84647418
6-(3-methoxyphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 79281273
N'-[5-cyclobutyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine
CID 117210662
3-(ethylaminomethyl)-1-(3-methoxyphenyl)-6-methylpyridazin-4-one
CID 82421029
[1-(3-methoxyphenyl)-5-propylpyrazol-4-yl]methanamine
CID 114798972
1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene
CID 70967395
4-(3-methoxyphenyl)-13-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
CID 19334746
7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride
CID 19889857
3-N-ethyl-1-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine
CID 114797790

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-6-methyl-3-propyl-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1-(3-methoxyphenyl)-6-methyl-3-propyl-4,5,6,7-tetrahydroindazole (CID 141028865) is 1-(3-methoxyphenyl)-6-methyl-3-propyl-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1-(3-methoxyphenyl)-6-methyl-3-propyl-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1-(3-methoxyphenyl)-6-methyl-3-propyl-4,5,6,7-tetrahydroindazole is CCCc1nn(-c2cccc(OC)c2)c2c1CCC(C)C2.
What is the InChIKey of 1-(3-methoxyphenyl)-6-methyl-3-propyl-4,5,6,7-tetrahydroindazole?
The InChIKey is JITQONXMKMGPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-6-17-16-10-9-13(2)11-18(16)20(19-17)14-7-5-8-15(12-14)21-3/h5,7-8,12-13H,4,6,9-11H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-6-methyl-3-propyl-4,5,6,7-tetrahydroindazole?
1-(3-methoxyphenyl)-6-methyl-3-propyl-4,5,6,7-tetrahydroindazole has a molecular weight of 284.40 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-6-methyl-3-propyl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 141028865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).