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

C19H26N2 — CID 139238262

IUPAC5-methyl-3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole
SMILESCCCCCc1nn(-c2ccccc2)c2c1CC(C)CC2
InChIInChI=1S/C19H26N2/c1-3-4-6-11-18-17-14-15(2)12-13-19(17)21(20-18)16-9-7-5-8-10-16/h5,7-10,15H,3-4,6,11-14H2,1-2H3
InChIKeyMTECQZWJEZWDBS-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.73
Rot. Bonds5

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

5-methyl-3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole (PubChem CID 139238262) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 5-methyl-3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name5-methyl-3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole
PubChem CID139238262
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name5-methyl-3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole
SMILESCCCCCc1nn(-c2ccccc2)c2c1CC(C)CC2
InChIInChI=1S/C19H26N2/c1-3-4-6-11-18-17-14-15(2)12-13-19(17)21(20-18)16-9-7-5-8-10-16/h5,7-10,15H,3-4,6,11-14H2,1-2H3
InChIKeyMTECQZWJEZWDBS-UHFFFAOYSA-N
XLogP4.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.73
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-tetrahydroindazole
CID 102460361
3-pentyl-1-phenyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]pyrazole
CID 139238265
1-(3-methoxyphenyl)-6-methyl-3-propyl-4,5,6,7-tetrahydroindazole
CID 141028865
1-phenyl-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 61296804
1-methyl-5-pentyl-3-phenyl-6,7,8,9-tetrahydropyrazolo[5,4-c]isoquinoline
CID 102138469
3-pentyl-1-pyridin-4-ylindazole
CID 67816303
3-(chloromethyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 14576151
3-heptyl-1-phenylpyrazol-5-amine
CID 43336725
bis[5-hexyl-1-phenyl-3-(2-phenylethyl)pyrazol-4-yl]methanone
CID 71813803
(3S,4S)-4-methyl-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 122120805
6-hexyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinoline
CID 86078546
1,4-dimethyl-2-pentylcyclohexene
CID 175171026

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole?
The IUPAC name of 5-methyl-3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole (CID 139238262) is 5-methyl-3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 5-methyl-3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 5-methyl-3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole is CCCCCc1nn(-c2ccccc2)c2c1CC(C)CC2.
What is the InChIKey of 5-methyl-3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole?
The InChIKey is MTECQZWJEZWDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-3-4-6-11-18-17-14-15(2)12-13-19(17)21(20-18)16-9-7-5-8-10-16/h5,7-10,15H,3-4,6,11-14H2,1-2H3.
What are the key properties of 5-methyl-3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole?
5-methyl-3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole has a molecular weight of 282.43 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 139238262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).