3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole

C17H26N2O2 — CID 155519188

IUPAC3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole
SMILESCn1nc(C2CCCC2)cc1C1COC2(CCCCC2)O1
InChIInChI=1S/C17H26N2O2/c1-19-15(11-14(18-19)13-7-3-4-8-13)16-12-20-17(21-16)9-5-2-6-10-17/h11,13,16H,2-10,12H2,1H3
InChIKeyNIQPXZQDRSXZHV-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.83
Rot. Bonds2

About 3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole

3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole (PubChem CID 155519188) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole.

Molecular Properties

Compound Name3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole
PubChem CID155519188
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole
SMILESCn1nc(C2CCCC2)cc1C1COC2(CCCCC2)O1
InChIInChI=1S/C17H26N2O2/c1-19-15(11-14(18-19)13-7-3-4-8-13)16-12-20-17(21-16)9-5-2-6-10-17/h11,13,16H,2-10,12H2,1H3
InChIKeyNIQPXZQDRSXZHV-UHFFFAOYSA-N
XLogP3.83
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole?
The IUPAC name of 3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole (CID 155519188) is 3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole.
What is the SMILES notation for 3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole?
The canonical SMILES for 3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole is Cn1nc(C2CCCC2)cc1C1COC2(CCCCC2)O1.
What is the InChIKey of 3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole?
The InChIKey is NIQPXZQDRSXZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19-15(11-14(18-19)13-7-3-4-8-13)16-12-20-17(21-16)9-5-2-6-10-17/h11,13,16H,2-10,12H2,1H3.
What are the key properties of 3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole?
3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole has a molecular weight of 290.41 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole is sourced from PubChem (CID 155519188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).