1-(3-methoxyphenyl)-6-propan-2-yl-3-propyl-4,5,6,7-tetrahydroindazole

C20H28N2O — CID 141028869

IUPAC1-(3-methoxyphenyl)-6-propan-2-yl-3-propyl-4,5,6,7-tetrahydroindazole
SMILESCCCc1nn(-c2cccc(OC)c2)c2c1CCC(C(C)C)C2
InChIInChI=1S/C20H28N2O/c1-5-7-19-18-11-10-15(14(2)3)12-20(18)22(21-19)16-8-6-9-17(13-16)23-4/h6,8-9,13-15H,5,7,10-12H2,1-4H3
InChIKeySDXMYCKHCHDHEV-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.59
Rot. Bonds5

About 1-(3-methoxyphenyl)-6-propan-2-yl-3-propyl-4,5,6,7-tetrahydroindazole

1-(3-methoxyphenyl)-6-propan-2-yl-3-propyl-4,5,6,7-tetrahydroindazole (PubChem CID 141028869) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-6-propan-2-yl-3-propyl-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-6-propan-2-yl-3-propyl-4,5,6,7-tetrahydroindazole
PubChem CID141028869
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name1-(3-methoxyphenyl)-6-propan-2-yl-3-propyl-4,5,6,7-tetrahydroindazole
SMILESCCCc1nn(-c2cccc(OC)c2)c2c1CCC(C(C)C)C2
InChIInChI=1S/C20H28N2O/c1-5-7-19-18-11-10-15(14(2)3)12-20(18)22(21-19)16-8-6-9-17(13-16)23-4/h6,8-9,13-15H,5,7,10-12H2,1-4H3
InChIKeySDXMYCKHCHDHEV-UHFFFAOYSA-N
XLogP4.59
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-6-methyl-3-propyl-4,5,6,7-tetrahydroindazole
CID 141028865
N-ethyl-1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 114797992
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084879
[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
1-(3-methoxyphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64933006
5-bromo-1-(3-methoxyphenyl)pyrazole
CID 112693887
3-(ethylaminomethyl)-1-(3-methoxyphenyl)-6-methylpyridazin-4-one
CID 82421029
5-ethyl-1-(3-methoxyphenyl)-2-propan-2-ylpiperazine
CID 64932840
[1-(3-methoxyphenyl)-5-propylpyrazol-4-yl]methanamine
CID 114798972
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

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-6-propan-2-yl-3-propyl-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1-(3-methoxyphenyl)-6-propan-2-yl-3-propyl-4,5,6,7-tetrahydroindazole (CID 141028869) is 1-(3-methoxyphenyl)-6-propan-2-yl-3-propyl-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1-(3-methoxyphenyl)-6-propan-2-yl-3-propyl-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1-(3-methoxyphenyl)-6-propan-2-yl-3-propyl-4,5,6,7-tetrahydroindazole is CCCc1nn(-c2cccc(OC)c2)c2c1CCC(C(C)C)C2.
What is the InChIKey of 1-(3-methoxyphenyl)-6-propan-2-yl-3-propyl-4,5,6,7-tetrahydroindazole?
The InChIKey is SDXMYCKHCHDHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-5-7-19-18-11-10-15(14(2)3)12-20(18)22(21-19)16-8-6-9-17(13-16)23-4/h6,8-9,13-15H,5,7,10-12H2,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-6-propan-2-yl-3-propyl-4,5,6,7-tetrahydroindazole?
1-(3-methoxyphenyl)-6-propan-2-yl-3-propyl-4,5,6,7-tetrahydroindazole has a molecular weight of 312.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-6-propan-2-yl-3-propyl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 141028869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).