4-benzyl-3-pentyl-2H-indazole

C19H22N2 — CID 70179952

IUPAC4-benzyl-3-pentyl-2H-indazole
SMILESCCCCCc1[nH]nc2cccc(Cc3ccccc3)c12
InChIInChI=1S/C19H22N2/c1-2-3-5-12-17-19-16(11-8-13-18(19)21-20-17)14-15-9-6-4-7-10-15/h4,6-11,13H,2-3,5,12,14H2,1H3,(H,20,21)
InChIKeyGOTIRKWTMSISJC-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.89
Rot. Bonds6

About 4-benzyl-3-pentyl-2H-indazole

4-benzyl-3-pentyl-2H-indazole (PubChem CID 70179952) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-benzyl-3-pentyl-2H-indazole.

Molecular Properties

Compound Name4-benzyl-3-pentyl-2H-indazole
PubChem CID70179952
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name4-benzyl-3-pentyl-2H-indazole
SMILESCCCCCc1[nH]nc2cccc(Cc3ccccc3)c12
InChIInChI=1S/C19H22N2/c1-2-3-5-12-17-19-16(11-8-13-18(19)21-20-17)14-15-9-6-4-7-10-15/h4,6-11,13H,2-3,5,12,14H2,1H3,(H,20,21)
InChIKeyGOTIRKWTMSISJC-UHFFFAOYSA-N
XLogP4.89
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-decyl-4-methyl-2H-indazole
CID 173177017
5-benzyl-3-pentylquinolin-2-amine
CID 122192094
2H-benzotriazole;hexylbenzene
CID 158994686
1,4-bis[(2-octylphenyl)methyl]benzene
CID 22921262
1-benzyl-3-pentadecylbenzene
CID 173121378
octacosylbenzene
CID 14228596
octylbenzene
CID 16607
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
1-benzyl-2,3-dipropylbenzene
CID 22920914
1-benzyl-2-(3-pentylphenoxy)benzene
CID 58062192

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-pentyl-2H-indazole?
The IUPAC name of 4-benzyl-3-pentyl-2H-indazole (CID 70179952) is 4-benzyl-3-pentyl-2H-indazole.
What is the SMILES notation for 4-benzyl-3-pentyl-2H-indazole?
The canonical SMILES for 4-benzyl-3-pentyl-2H-indazole is CCCCCc1[nH]nc2cccc(Cc3ccccc3)c12.
What is the InChIKey of 4-benzyl-3-pentyl-2H-indazole?
The InChIKey is GOTIRKWTMSISJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-2-3-5-12-17-19-16(11-8-13-18(19)21-20-17)14-15-9-6-4-7-10-15/h4,6-11,13H,2-3,5,12,14H2,1H3,(H,20,21).
What are the key properties of 4-benzyl-3-pentyl-2H-indazole?
4-benzyl-3-pentyl-2H-indazole has a molecular weight of 278.40 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-pentyl-2H-indazole is sourced from PubChem (CID 70179952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).