4-tert-butyl-5-ethyl-6-methyl-2,3-dihydro-1H-indazole

C14H22N2 — CID 177150101

IUPAC4-tert-butyl-5-ethyl-6-methyl-2,3-dihydro-1H-indazole
SMILESCCc1c(C)cc2c(c1C(C)(C)C)CNN2
InChIInChI=1S/C14H22N2/c1-6-10-9(2)7-12-11(8-15-16-12)13(10)14(3,4)5/h7,15-16H,6,8H2,1-5H3
InChIKeyCMMWARLDTPMIGX-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.29
Rot. Bonds1

About 4-tert-butyl-5-ethyl-6-methyl-2,3-dihydro-1H-indazole

4-tert-butyl-5-ethyl-6-methyl-2,3-dihydro-1H-indazole (PubChem CID 177150101) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-tert-butyl-5-ethyl-6-methyl-2,3-dihydro-1H-indazole.

Molecular Properties

Compound Name4-tert-butyl-5-ethyl-6-methyl-2,3-dihydro-1H-indazole
PubChem CID177150101
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-tert-butyl-5-ethyl-6-methyl-2,3-dihydro-1H-indazole
SMILESCCc1c(C)cc2c(c1C(C)(C)C)CNN2
InChIInChI=1S/C14H22N2/c1-6-10-9(2)7-12-11(8-15-16-12)13(10)14(3,4)5/h7,15-16H,6,8H2,1-5H3
InChIKeyCMMWARLDTPMIGX-UHFFFAOYSA-N
XLogP3.29
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-5,6-diethyl-7-fluoro-2,3-dihydro-1H-indene
CID 156857558
1-tert-butyl-3-ethyl-2,4,5,6-tetramethylbenzene
CID 177164179
CID 173477690
CID 173477690
ditert-butyl-[[3-(ditert-butylphosphanylmethyl)-2-ethyl-4,6-dimethylphenyl]methyl]phosphane
CID 15849451
1,5-ditert-butyl-2-[3-(2,4-ditert-butyl-6-methylphenyl)propyl]-3-methylbenzene
CID 174153590
ethane;2-ethyl-1-fluoro-3,5-dimethylbenzene
CID 170736558
2-tert-butyl-1,3,5-triethylbenzene
CID 140660512
4-ethyl-1,5,7-trimethyl-2,3-dihydro-1H-indene
CID 171537068
2-tert-butyl-3,5-dimethylbenzenethiol
CID 69414331
(4-ethyl-3,5-dimethylphenyl)boronic acid
CID 46736813
2-ethyl-5-(4-ethyl-3-hydroxy-5-methylphenyl)-3-methylphenol
CID 134165367
3,5-ditert-butyl-4-ethylphenol
CID 54064796

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-ethyl-6-methyl-2,3-dihydro-1H-indazole?
The IUPAC name of 4-tert-butyl-5-ethyl-6-methyl-2,3-dihydro-1H-indazole (CID 177150101) is 4-tert-butyl-5-ethyl-6-methyl-2,3-dihydro-1H-indazole.
What is the SMILES notation for 4-tert-butyl-5-ethyl-6-methyl-2,3-dihydro-1H-indazole?
The canonical SMILES for 4-tert-butyl-5-ethyl-6-methyl-2,3-dihydro-1H-indazole is CCc1c(C)cc2c(c1C(C)(C)C)CNN2.
What is the InChIKey of 4-tert-butyl-5-ethyl-6-methyl-2,3-dihydro-1H-indazole?
The InChIKey is CMMWARLDTPMIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-6-10-9(2)7-12-11(8-15-16-12)13(10)14(3,4)5/h7,15-16H,6,8H2,1-5H3.
What are the key properties of 4-tert-butyl-5-ethyl-6-methyl-2,3-dihydro-1H-indazole?
4-tert-butyl-5-ethyl-6-methyl-2,3-dihydro-1H-indazole has a molecular weight of 218.34 g/mol, XLogP of 3.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-ethyl-6-methyl-2,3-dihydro-1H-indazole is sourced from PubChem (CID 177150101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).