5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1H-pyrazole

C15H18N2O3 — CID 155551167

IUPAC5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1H-pyrazole
SMILESc1cc(-c2cc(C3COC4(CCCCC4)O3)[nH]n2)co1
InChIInChI=1S/C15H18N2O3/c1-2-5-15(6-3-1)19-10-14(20-15)13-8-12(16-17-13)11-4-7-18-9-11/h4,7-9,14H,1-3,5-6,10H2,(H,16,17)
InChIKeyOJBIPWPCMPSDHR-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.42
Rot. Bonds2

About 5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1H-pyrazole

5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1H-pyrazole (PubChem CID 155551167) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1H-pyrazole
PubChem CID155551167
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1H-pyrazole
SMILESc1cc(-c2cc(C3COC4(CCCCC4)O3)[nH]n2)co1
InChIInChI=1S/C15H18N2O3/c1-2-5-15(6-3-1)19-10-14(20-15)13-8-12(16-17-13)11-4-7-18-9-11/h4,7-9,14H,1-3,5-6,10H2,(H,16,17)
InChIKeyOJBIPWPCMPSDHR-UHFFFAOYSA-N
XLogP3.42
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 2042513
5-(2-Furyl)-3-methyl-1H-pyrazole
CID 700124
2-[5-(2-Furyl)-1H-pyrazol-3-yl]phenol
CID 614686
methyl 3-(4-butoxyphenyl)-1H-pyrazole-5-carboxylate
CID 16654604
Methyl 5-furan-2-yl-3-methyl-1h-pyrazole-4-carboxylate
CID 2743394
5-(furan-2-yl)-3-phenyl-1H-pyrazole
CID 835422
3-(furan-3-yl)-1H-pyrazole-5-carboxylic acid
CID 39870608
2-(3-(Furan-2-YL)-1H-pyrazol-5-YL)aniline
CID 10823070
5-(1,4-Dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1-methylpyrazole
CID 155527696
1-[3-(furan-3-yl)-1H-pyrazol-5-yl]ethane-1,2-diol
CID 155563594
3-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-pyridazin-6-one
CID 135890953
2-[5-(2-Furyl)-1H-pyrazol-3-yl]-5-methylphenol
CID 617642

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1H-pyrazole?
The IUPAC name of 5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1H-pyrazole (CID 155551167) is 5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1H-pyrazole.
What is the SMILES notation for 5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1H-pyrazole?
The canonical SMILES for 5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1H-pyrazole is c1cc(-c2cc(C3COC4(CCCCC4)O3)[nH]n2)co1.
What is the InChIKey of 5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1H-pyrazole?
The InChIKey is OJBIPWPCMPSDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-5-15(6-3-1)19-10-14(20-15)13-8-12(16-17-13)11-4-7-18-9-11/h4,7-9,14H,1-3,5-6,10H2,(H,16,17).
What are the key properties of 5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1H-pyrazole?
5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1H-pyrazole has a molecular weight of 274.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-(furan-3-yl)-1H-pyrazole is sourced from PubChem (CID 155551167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).