(4S)-4-ethyl-1-methyl-2,4,5,6,7,7a-hexahydroindazole

C10H18N2 — CID 163416173

IUPAC(4S)-4-ethyl-1-methyl-2,4,5,6,7,7a-hexahydroindazole
SMILESCC[C@H]1CCCC2C1=CNN2C
InChIInChI=1S/C10H18N2/c1-3-8-5-4-6-10-9(8)7-11-12(10)2/h7-8,10-11H,3-6H2,1-2H3/t8-,10?/m0/s1
InChIKeyAEPIUZZRFHUZAR-PEHGTWAWSA-N
MW166.27 g/mol
LogP1.90
Rot. Bonds1

About (4S)-4-ethyl-1-methyl-2,4,5,6,7,7a-hexahydroindazole

(4S)-4-ethyl-1-methyl-2,4,5,6,7,7a-hexahydroindazole (PubChem CID 163416173) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (4S)-4-ethyl-1-methyl-2,4,5,6,7,7a-hexahydroindazole.

Molecular Properties

Compound Name(4S)-4-ethyl-1-methyl-2,4,5,6,7,7a-hexahydroindazole
PubChem CID163416173
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(4S)-4-ethyl-1-methyl-2,4,5,6,7,7a-hexahydroindazole
SMILESCC[C@H]1CCCC2C1=CNN2C
InChIInChI=1S/C10H18N2/c1-3-8-5-4-6-10-9(8)7-11-12(10)2/h7-8,10-11H,3-6H2,1-2H3/t8-,10?/m0/s1
InChIKeyAEPIUZZRFHUZAR-PEHGTWAWSA-N
XLogP1.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-3a,4,5,6,7,7a-hexahydroindol-1-amine
CID 123257027
(1Z)-2-[amino(methyl)amino]-3-cyclohexylbuta-1,3-dien-1-amine
CID 138637145
ethane;2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole
CID 144881804
3-Heptan-3-yl-2,4-dimethyl-1,3-dihydropyrazole
CID 166834566
4-Cyclohexyl-1,2-dimethyl-2,3-dihydro-1H-pyrazol-1-ium perchlorate
CID 71429569
3-Hexyl-2-methyl-4-pentyl-1,3-dihydropyrazole
CID 117060718
2,5,5-trimethyl-4,6,7,7a-tetrahydro-1H-indazole
CID 144881805

Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-1-methyl-2,4,5,6,7,7a-hexahydroindazole?
The IUPAC name of (4S)-4-ethyl-1-methyl-2,4,5,6,7,7a-hexahydroindazole (CID 163416173) is (4S)-4-ethyl-1-methyl-2,4,5,6,7,7a-hexahydroindazole.
What is the SMILES notation for (4S)-4-ethyl-1-methyl-2,4,5,6,7,7a-hexahydroindazole?
The canonical SMILES for (4S)-4-ethyl-1-methyl-2,4,5,6,7,7a-hexahydroindazole is CC[C@H]1CCCC2C1=CNN2C.
What is the InChIKey of (4S)-4-ethyl-1-methyl-2,4,5,6,7,7a-hexahydroindazole?
The InChIKey is AEPIUZZRFHUZAR-PEHGTWAWSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-8-5-4-6-10-9(8)7-11-12(10)2/h7-8,10-11H,3-6H2,1-2H3/t8-,10?/m0/s1.
What are the key properties of (4S)-4-ethyl-1-methyl-2,4,5,6,7,7a-hexahydroindazole?
(4S)-4-ethyl-1-methyl-2,4,5,6,7,7a-hexahydroindazole has a molecular weight of 166.27 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyl-1-methyl-2,4,5,6,7,7a-hexahydroindazole is sourced from PubChem (CID 163416173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).