5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-propan-2-yl-1H-pyrazole

C14H22N2O2 — CID 155554685

IUPAC5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-propan-2-yl-1H-pyrazole
SMILESCC(C)c1cc(C2COC3(CCCCC3)O2)[nH]n1
InChIInChI=1S/C14H22N2O2/c1-10(2)11-8-12(16-15-11)13-9-17-14(18-13)6-4-3-5-7-14/h8,10,13H,3-7,9H2,1-2H3,(H,15,16)
InChIKeyKXAWZVFTBLRQJL-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.28
Rot. Bonds2

About 5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-propan-2-yl-1H-pyrazole

5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-propan-2-yl-1H-pyrazole (PubChem CID 155554685) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound Name5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-propan-2-yl-1H-pyrazole
PubChem CID155554685
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-propan-2-yl-1H-pyrazole
SMILESCC(C)c1cc(C2COC3(CCCCC3)O2)[nH]n1
InChIInChI=1S/C14H22N2O2/c1-10(2)11-8-12(16-15-11)13-9-17-14(18-13)6-4-3-5-7-14/h8,10,13H,3-7,9H2,1-2H3,(H,15,16)
InChIKeyKXAWZVFTBLRQJL-UHFFFAOYSA-N
XLogP3.28
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 118196058
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CID 143075008
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CID 145143569
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CID 145288994
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Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-propan-2-yl-1H-pyrazole?
The IUPAC name of 5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-propan-2-yl-1H-pyrazole (CID 155554685) is 5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-propan-2-yl-1H-pyrazole.
What is the SMILES notation for 5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-propan-2-yl-1H-pyrazole?
The canonical SMILES for 5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-propan-2-yl-1H-pyrazole is CC(C)c1cc(C2COC3(CCCCC3)O2)[nH]n1.
What is the InChIKey of 5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-propan-2-yl-1H-pyrazole?
The InChIKey is KXAWZVFTBLRQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)11-8-12(16-15-11)13-9-17-14(18-13)6-4-3-5-7-14/h8,10,13H,3-7,9H2,1-2H3,(H,15,16).
What are the key properties of 5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-propan-2-yl-1H-pyrazole?
5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-propan-2-yl-1H-pyrazole has a molecular weight of 250.34 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 155554685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).