3-chloro-1-[2-[4-[4-(4-methylphenyl)cyclohexyl]cyclohexyl]ethyl]indazole

C28H35ClN2 — CID 176717291

IUPAC3-chloro-1-[2-[4-[4-(4-methylphenyl)cyclohexyl]cyclohexyl]ethyl]indazole
SMILESCc1ccc(C2CCC(C3CCC(CCn4nc(Cl)c5ccccc54)CC3)CC2)cc1
InChIInChI=1S/C28H35ClN2/c1-20-6-10-22(11-7-20)24-14-16-25(17-15-24)23-12-8-21(9-13-23)18-19-31-27-5-3-2-4-26(27)28(29)30-31/h2-7,10-11,21,23-25H,8-9,12-19H2,1H3
InChIKeyMETGEADIQYFOMA-UHFFFAOYSA-N
MW435.06 g/mol
LogP8.17
Rot. Bonds5

About 3-chloro-1-[2-[4-[4-(4-methylphenyl)cyclohexyl]cyclohexyl]ethyl]indazole

3-chloro-1-[2-[4-[4-(4-methylphenyl)cyclohexyl]cyclohexyl]ethyl]indazole (PubChem CID 176717291) has the molecular formula C28H35ClN2 and a molecular weight of 435.06 g/mol. Its IUPAC name is 3-chloro-1-[2-[4-[4-(4-methylphenyl)cyclohexyl]cyclohexyl]ethyl]indazole.

Molecular Properties

Compound Name3-chloro-1-[2-[4-[4-(4-methylphenyl)cyclohexyl]cyclohexyl]ethyl]indazole
PubChem CID176717291
Molecular FormulaC28H35ClN2
Molecular Weight435.06 g/mol
Exact Mass434.25
IUPAC Name3-chloro-1-[2-[4-[4-(4-methylphenyl)cyclohexyl]cyclohexyl]ethyl]indazole
SMILESCc1ccc(C2CCC(C3CCC(CCn4nc(Cl)c5ccccc54)CC3)CC2)cc1
InChIInChI=1S/C28H35ClN2/c1-20-6-10-22(11-7-20)24-14-16-25(17-15-24)23-12-8-21(9-13-23)18-19-31-27-5-3-2-4-26(27)28(29)30-31/h2-7,10-11,21,23-25H,8-9,12-19H2,1H3
InChIKeyMETGEADIQYFOMA-UHFFFAOYSA-N
XLogP8.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.06
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(2-piperidin-4-ylethyl)indazole
CID 82513483
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene
CID 18724321
1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene
CID 58932728
1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;bis(1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene)
CID 161029870
1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 54467761
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 160680603
1-(4-cyclohexylcyclohexyl)-4-methylbenzene;ethane
CID 91432939
2-hexyl-6-[4-(4-methylphenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139867836
2-(4-but-3-enylcyclohexyl)-6-(4-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139869655
2-(4-hexylcyclohexyl)-6-(4-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837111
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[2-[4-[4-(4-methylphenyl)cyclohexyl]cyclohexyl]ethyl]indazole?
The IUPAC name of 3-chloro-1-[2-[4-[4-(4-methylphenyl)cyclohexyl]cyclohexyl]ethyl]indazole (CID 176717291) is 3-chloro-1-[2-[4-[4-(4-methylphenyl)cyclohexyl]cyclohexyl]ethyl]indazole.
What is the SMILES notation for 3-chloro-1-[2-[4-[4-(4-methylphenyl)cyclohexyl]cyclohexyl]ethyl]indazole?
The canonical SMILES for 3-chloro-1-[2-[4-[4-(4-methylphenyl)cyclohexyl]cyclohexyl]ethyl]indazole is Cc1ccc(C2CCC(C3CCC(CCn4nc(Cl)c5ccccc54)CC3)CC2)cc1.
What is the InChIKey of 3-chloro-1-[2-[4-[4-(4-methylphenyl)cyclohexyl]cyclohexyl]ethyl]indazole?
The InChIKey is METGEADIQYFOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN2/c1-20-6-10-22(11-7-20)24-14-16-25(17-15-24)23-12-8-21(9-13-23)18-19-31-27-5-3-2-4-26(27)28(29)30-31/h2-7,10-11,21,23-25H,8-9,12-19H2,1H3.
What are the key properties of 3-chloro-1-[2-[4-[4-(4-methylphenyl)cyclohexyl]cyclohexyl]ethyl]indazole?
3-chloro-1-[2-[4-[4-(4-methylphenyl)cyclohexyl]cyclohexyl]ethyl]indazole has a molecular weight of 435.06 g/mol, XLogP of 8.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[2-[4-[4-(4-methylphenyl)cyclohexyl]cyclohexyl]ethyl]indazole is sourced from PubChem (CID 176717291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).