3-(4,4-dimethylpentyl)-6-methyl-2H-indazole

C15H22N2 — CID 163560840

IUPAC3-(4,4-dimethylpentyl)-6-methyl-2H-indazole
SMILESCc1ccc2c(CCCC(C)(C)C)[nH]nc2c1
InChIInChI=1S/C15H22N2/c1-11-7-8-12-13(16-17-14(12)10-11)6-5-9-15(2,3)4/h7-8,10H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyJVSNQZRWDPCXST-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.24
Rot. Bonds3

About 3-(4,4-dimethylpentyl)-6-methyl-2H-indazole

3-(4,4-dimethylpentyl)-6-methyl-2H-indazole (PubChem CID 163560840) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-(4,4-dimethylpentyl)-6-methyl-2H-indazole.

Molecular Properties

Compound Name3-(4,4-dimethylpentyl)-6-methyl-2H-indazole
PubChem CID163560840
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name3-(4,4-dimethylpentyl)-6-methyl-2H-indazole
SMILESCc1ccc2c(CCCC(C)(C)C)[nH]nc2c1
InChIInChI=1S/C15H22N2/c1-11-7-8-12-13(16-17-14(12)10-11)6-5-9-15(2,3)4/h7-8,10H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyJVSNQZRWDPCXST-UHFFFAOYSA-N
XLogP4.24
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4,4-dimethylpentyl)-6-fluoro-2H-indazole
CID 166973737
propan-2-yl 2-(6-methyl-2H-indazol-3-yl)acetate
CID 170985533
6-methyl-3-nitro-2H-indazole
CID 135883511
6-chloro-3-(3,3,3-trifluoropropyl)-2H-indazole
CID 118994156
2-(6-methyl-2H-indazol-3-yl)propan-1-amine
CID 83907197
3-(3-methylbutyl)-2H-indazol-6-ol
CID 136619287
2-[6-(trifluoromethyl)-2H-indazol-3-yl]ethanamine
CID 76846281
2-(6-iodo-2H-indazol-3-yl)ethanamine
CID 76846285
3-[2-(4-methylphenyl)ethyl]-5-(1H-1,2,4-triazol-5-yl)-2H-indazole
CID 142209039
3-(6-methoxy-2H-indazol-3-yl)propanenitrile
CID 84721358
3-ethyl-6-piperazin-1-yl-2H-indazole
CID 59781257
(4-tert-butyl-7-methylquinolin-3-yl)methanamine
CID 105485981

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylpentyl)-6-methyl-2H-indazole?
The IUPAC name of 3-(4,4-dimethylpentyl)-6-methyl-2H-indazole (CID 163560840) is 3-(4,4-dimethylpentyl)-6-methyl-2H-indazole.
What is the SMILES notation for 3-(4,4-dimethylpentyl)-6-methyl-2H-indazole?
The canonical SMILES for 3-(4,4-dimethylpentyl)-6-methyl-2H-indazole is Cc1ccc2c(CCCC(C)(C)C)[nH]nc2c1.
What is the InChIKey of 3-(4,4-dimethylpentyl)-6-methyl-2H-indazole?
The InChIKey is JVSNQZRWDPCXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-11-7-8-12-13(16-17-14(12)10-11)6-5-9-15(2,3)4/h7-8,10H,5-6,9H2,1-4H3,(H,16,17).
What are the key properties of 3-(4,4-dimethylpentyl)-6-methyl-2H-indazole?
3-(4,4-dimethylpentyl)-6-methyl-2H-indazole has a molecular weight of 230.35 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylpentyl)-6-methyl-2H-indazole is sourced from PubChem (CID 163560840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).