5-[2-[5-[2-(3,4-dihydro-2H-pyran-6-yl)propyl]-1-methylpyrazol-3-yl]propyl]-2-propan-2-ylcyclopent-2-en-1-one

C23H34N2O2 — CID 155242886

IUPAC5-[2-[5-[2-(3,4-dihydro-2H-pyran-6-yl)propyl]-1-methylpyrazol-3-yl]propyl]-2-propan-2-ylcyclopent-2-en-1-one
SMILESCC(C)C1=CCC(CC(C)c2cc(CC(C)C3=CCCCO3)n(C)n2)C1=O
InChIInChI=1S/C23H34N2O2/c1-15(2)20-10-9-18(23(20)26)12-16(3)21-14-19(25(5)24-21)13-17(4)22-8-6-7-11-27-22/h8,10,14-18H,6-7,9,11-13H2,1-5H3
InChIKeyTUSNQZYYUOCTHQ-UHFFFAOYSA-N
MW370.54 g/mol
LogP4.96
Rot. Bonds7

About 5-[2-[5-[2-(3,4-dihydro-2H-pyran-6-yl)propyl]-1-methylpyrazol-3-yl]propyl]-2-propan-2-ylcyclopent-2-en-1-one

5-[2-[5-[2-(3,4-dihydro-2H-pyran-6-yl)propyl]-1-methylpyrazol-3-yl]propyl]-2-propan-2-ylcyclopent-2-en-1-one (PubChem CID 155242886) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 5-[2-[5-[2-(3,4-dihydro-2H-pyran-6-yl)propyl]-1-methylpyrazol-3-yl]propyl]-2-propan-2-ylcyclopent-2-en-1-one.

Molecular Properties

Compound Name5-[2-[5-[2-(3,4-dihydro-2H-pyran-6-yl)propyl]-1-methylpyrazol-3-yl]propyl]-2-propan-2-ylcyclopent-2-en-1-one
PubChem CID155242886
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name5-[2-[5-[2-(3,4-dihydro-2H-pyran-6-yl)propyl]-1-methylpyrazol-3-yl]propyl]-2-propan-2-ylcyclopent-2-en-1-one
SMILESCC(C)C1=CCC(CC(C)c2cc(CC(C)C3=CCCCO3)n(C)n2)C1=O
InChIInChI=1S/C23H34N2O2/c1-15(2)20-10-9-18(23(20)26)12-16(3)21-14-19(25(5)24-21)13-17(4)22-8-6-7-11-27-22/h8,10,14-18H,6-7,9,11-13H2,1-5H3
InChIKeyTUSNQZYYUOCTHQ-UHFFFAOYSA-N
XLogP4.96
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[2-[5-[2-(3,4-dihydro-2H-pyran-6-yl)propyl]-1-methylpyrazol-3-yl]propyl]-2-propan-2-ylcyclopent-2-en-1-one with MolForge

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Launch Full Analysis

Related Compounds

methyl (4S)-4-(2,5-dimethylpyrazol-3-yl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate
CID 134715916
[5-(2,5-Dimethylpyrazol-3-yl)-3-oxocyclohexen-1-yl] propanoate
CID 14536274
5-(2,5-Dimethylpyrazol-3-yl)-2-propanoylcyclohex-2-en-1-one
CID 21647162
(1-Methyl-5-propan-2-ylpyrazol-3-yl)-(oxan-4-yl)methanone
CID 130210358
(1,5-Dimethylpyrazol-3-yl)-(oxan-4-yl)methanone
CID 130244369
methyl (Z)-7-[(1S,5E)-5-[(3S)-5-(1,5-dimethylpyrazol-3-yl)-3-hydroxypentylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate
CID 130467665
(1E,4S,10Z,13S)-4-[2-(1,5-dimethylpyrazol-3-yl)ethyl]-5-oxabicyclo[11.3.0]hexadeca-1,10,14-triene-6,16-dione
CID 130467675
3-Methyl-1-[5-methyl-3-(oxolan-3-ylmethyl)pyrazol-1-yl]heptan-4-one
CID 135136204
1-[5-Methyl-3-(oxolan-3-ylmethyl)pyrazol-1-yl]heptan-4-one
CID 135136214
Ethane;4-methyl-2-(oxolan-3-ylmethyl)-4,5,6,8,9,10-hexahydropyrazolo[1,5-a]azonin-7-one
CID 142375304
4,8-Dimethyl-2-(oxolan-3-ylmethyl)-4,5,6,8,9,10-hexahydropyrazolo[1,5-a]azonin-7-one;ethane
CID 142375325
1-(1-Methyl-3-propylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one
CID 149131791

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-[2-(3,4-dihydro-2H-pyran-6-yl)propyl]-1-methylpyrazol-3-yl]propyl]-2-propan-2-ylcyclopent-2-en-1-one?
The IUPAC name of 5-[2-[5-[2-(3,4-dihydro-2H-pyran-6-yl)propyl]-1-methylpyrazol-3-yl]propyl]-2-propan-2-ylcyclopent-2-en-1-one (CID 155242886) is 5-[2-[5-[2-(3,4-dihydro-2H-pyran-6-yl)propyl]-1-methylpyrazol-3-yl]propyl]-2-propan-2-ylcyclopent-2-en-1-one.
What is the SMILES notation for 5-[2-[5-[2-(3,4-dihydro-2H-pyran-6-yl)propyl]-1-methylpyrazol-3-yl]propyl]-2-propan-2-ylcyclopent-2-en-1-one?
The canonical SMILES for 5-[2-[5-[2-(3,4-dihydro-2H-pyran-6-yl)propyl]-1-methylpyrazol-3-yl]propyl]-2-propan-2-ylcyclopent-2-en-1-one is CC(C)C1=CCC(CC(C)c2cc(CC(C)C3=CCCCO3)n(C)n2)C1=O.
What is the InChIKey of 5-[2-[5-[2-(3,4-dihydro-2H-pyran-6-yl)propyl]-1-methylpyrazol-3-yl]propyl]-2-propan-2-ylcyclopent-2-en-1-one?
The InChIKey is TUSNQZYYUOCTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-15(2)20-10-9-18(23(20)26)12-16(3)21-14-19(25(5)24-21)13-17(4)22-8-6-7-11-27-22/h8,10,14-18H,6-7,9,11-13H2,1-5H3.
What are the key properties of 5-[2-[5-[2-(3,4-dihydro-2H-pyran-6-yl)propyl]-1-methylpyrazol-3-yl]propyl]-2-propan-2-ylcyclopent-2-en-1-one?
5-[2-[5-[2-(3,4-dihydro-2H-pyran-6-yl)propyl]-1-methylpyrazol-3-yl]propyl]-2-propan-2-ylcyclopent-2-en-1-one has a molecular weight of 370.54 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-[2-(3,4-dihydro-2H-pyran-6-yl)propyl]-1-methylpyrazol-3-yl]propyl]-2-propan-2-ylcyclopent-2-en-1-one is sourced from PubChem (CID 155242886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).