6,6-dimethyl-1H-cyclopenta[d]pyrazole;1,2,3,4,5,6-hexahydrochrysene

C26H28N2 — CID 175234898

IUPAC6,6-dimethyl-1H-cyclopenta[d]pyrazole;1,2,3,4,5,6-hexahydrochrysene
SMILESCC1(C)C=Cc2cn[nH]c21.c1ccc2c(c1)CCc1c-2ccc2c1CCCC2
InChIInChI=1S/C18H18.C8H10N2/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-8(2)4-3-6-5-9-10-7(6)8/h1,3,5,7,10,12H,2,4,6,8-9,11H2;3-5H,1-2H3,(H,9,10)
InChIKeyXDABEEFSNHEXTL-UHFFFAOYSA-N
MW368.52 g/mol
LogP6.05
Rot. Bonds

About 6,6-dimethyl-1H-cyclopenta[d]pyrazole;1,2,3,4,5,6-hexahydrochrysene

6,6-dimethyl-1H-cyclopenta[d]pyrazole;1,2,3,4,5,6-hexahydrochrysene (PubChem CID 175234898) has the molecular formula C26H28N2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 6,6-dimethyl-1H-cyclopenta[d]pyrazole;1,2,3,4,5,6-hexahydrochrysene.

Molecular Properties

Compound Name6,6-dimethyl-1H-cyclopenta[d]pyrazole;1,2,3,4,5,6-hexahydrochrysene
PubChem CID175234898
Molecular FormulaC26H28N2
Molecular Weight368.52 g/mol
Exact Mass368.23
IUPAC Name6,6-dimethyl-1H-cyclopenta[d]pyrazole;1,2,3,4,5,6-hexahydrochrysene
SMILESCC1(C)C=Cc2cn[nH]c21.c1ccc2c(c1)CCc1c-2ccc2c1CCCC2
InChIInChI=1S/C18H18.C8H10N2/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-8(2)4-3-6-5-9-10-7(6)8/h1,3,5,7,10,12H,2,4,6,8-9,11H2;3-5H,1-2H3,(H,9,10)
InChIKeyXDABEEFSNHEXTL-UHFFFAOYSA-N
XLogP6.05
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3H-1,4-benzodiazepine;1,2,3,4,5,6-hexahydrochrysene
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CID 27811
3,4,5,6-tetrahydro-2H-chrysen-1-one
CID 14148821
2,4-benzothiazepine;cyclohepta-1,3,5-triene;1,2,3,4,5,6-hexahydrochrysene
CID 174461966
1,1,2-trimethyl-5,6-dihydro-4H-chrysene-3-carbonitrile
CID 174721362
2-(1,2,3,4,5,6-hexahydrochrysen-2-yl)pyrimidine
CID 174535292
9,10-dihydrophenanthrene;ethane
CID 143759681
3,4,5,6-tetrahydrochrysen-3-ylmethanamine
CID 174311075
3,6,7,8-tetrahydrocyclopenta[e]indazole
CID 59145851
5-(oxan-4-yl)-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-pyrazole
CID 167799237
19,26-diazapentacyclo[16.8.0.04,9.010,15.020,25]hexacosa-1(26),4,6,8,10,12,14,18,20,22,24-undecaene
CID 165351241
9,10-dihydrophenanthrene;methane
CID 174728506

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1H-cyclopenta[d]pyrazole;1,2,3,4,5,6-hexahydrochrysene?
The IUPAC name of 6,6-dimethyl-1H-cyclopenta[d]pyrazole;1,2,3,4,5,6-hexahydrochrysene (CID 175234898) is 6,6-dimethyl-1H-cyclopenta[d]pyrazole;1,2,3,4,5,6-hexahydrochrysene.
What is the SMILES notation for 6,6-dimethyl-1H-cyclopenta[d]pyrazole;1,2,3,4,5,6-hexahydrochrysene?
The canonical SMILES for 6,6-dimethyl-1H-cyclopenta[d]pyrazole;1,2,3,4,5,6-hexahydrochrysene is CC1(C)C=Cc2cn[nH]c21.c1ccc2c(c1)CCc1c-2ccc2c1CCCC2.
What is the InChIKey of 6,6-dimethyl-1H-cyclopenta[d]pyrazole;1,2,3,4,5,6-hexahydrochrysene?
The InChIKey is XDABEEFSNHEXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18.C8H10N2/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-8(2)4-3-6-5-9-10-7(6)8/h1,3,5,7,10,12H,2,4,6,8-9,11H2;3-5H,1-2H3,(H,9,10).
What are the key properties of 6,6-dimethyl-1H-cyclopenta[d]pyrazole;1,2,3,4,5,6-hexahydrochrysene?
6,6-dimethyl-1H-cyclopenta[d]pyrazole;1,2,3,4,5,6-hexahydrochrysene has a molecular weight of 368.52 g/mol, XLogP of 6.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1H-cyclopenta[d]pyrazole;1,2,3,4,5,6-hexahydrochrysene is sourced from PubChem (CID 175234898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).