3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole

C18H24N2 — CID 102460361

IUPAC3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole
SMILESCCCCCc1nn(-c2ccccc2)c2c1CCCC2
InChIInChI=1S/C18H24N2/c1-2-3-5-13-17-16-12-8-9-14-18(16)20(19-17)15-10-6-4-7-11-15/h4,6-7,10-11H,2-3,5,8-9,12-14H2,1H3
InChIKeyVISPEYDPJFXQDG-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.48
Rot. Bonds5

About 3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole

3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole (PubChem CID 102460361) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole
PubChem CID102460361
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole
SMILESCCCCCc1nn(-c2ccccc2)c2c1CCCC2
InChIInChI=1S/C18H24N2/c1-2-3-5-13-17-16-12-8-9-14-18(16)20(19-17)15-10-6-4-7-11-15/h4,6-7,10-11H,2-3,5,8-9,12-14H2,1H3
InChIKeyVISPEYDPJFXQDG-UHFFFAOYSA-N
XLogP4.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-pentyl-1-phenyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]pyrazole
CID 139238265
5-methyl-3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole
CID 139238262
3-(chloromethyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 14576151
1-methyl-5-pentyl-3-phenyl-6,7,8,9-tetrahydropyrazolo[5,4-c]isoquinoline
CID 102138469
6-hexyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinoline
CID 86078546
3-[(1,4-diphenylpyrazol-3-yl)methyl]-1-phenyl-4,5,6,7-tetrahydroindazole
CID 59661100
3-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 56528673
ethyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 14576148
(3S,4S)-4-methyl-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 122120805
(2R)-2-methyl-3-[methyl-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]amino]propanenitrile
CID 94797995
2-amino-3-methoxy-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]propanamide;hydrochloride
CID 120986692
2-[(1-phenyl-4,5,6,7-tetrahydroindazole-3-carbonyl)amino]acetic acid
CID 175587571

Frequently Asked Questions

What is the IUPAC name of 3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole?
The IUPAC name of 3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole (CID 102460361) is 3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole is CCCCCc1nn(-c2ccccc2)c2c1CCCC2.
What is the InChIKey of 3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole?
The InChIKey is VISPEYDPJFXQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-2-3-5-13-17-16-12-8-9-14-18(16)20(19-17)15-10-6-4-7-11-15/h4,6-7,10-11H,2-3,5,8-9,12-14H2,1H3.
What are the key properties of 3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole?
3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole has a molecular weight of 268.40 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 102460361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).