4-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylpyrazole

C12H18N2O2 — CID 91240817

IUPAC4-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylpyrazole
SMILESCn1cc(C2CCC3(CC2)OCCO3)cn1
InChIInChI=1S/C12H18N2O2/c1-14-9-11(8-13-14)10-2-4-12(5-3-10)15-6-7-16-12/h8-10H,2-7H2,1H3
InChIKeySYWQBPTVYPPNJN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.82
Rot. Bonds1

About 4-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylpyrazole

4-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylpyrazole (PubChem CID 91240817) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylpyrazole.

Molecular Properties

Compound Name4-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylpyrazole
PubChem CID91240817
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylpyrazole
SMILESCn1cc(C2CCC3(CC2)OCCO3)cn1
InChIInChI=1S/C12H18N2O2/c1-14-9-11(8-13-14)10-2-4-12(5-3-10)15-6-7-16-12/h8-10H,2-7H2,1H3
InChIKeySYWQBPTVYPPNJN-UHFFFAOYSA-N
XLogP1.82
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 61035182
4-cyclopentyl-1-methylpyrazole;propane-2,2-diol
CID 167462179
N-methyl-3-(1-methylpyrazol-4-yl)cyclopentan-1-amine
CID 64505429
8-(3,5-difluorophenyl)-1,4-dioxaspiro[4.5]decane
CID 20610161
8-(4-iodophenyl)-1,4-dioxaspiro[4.5]decane
CID 59950180
(3R)-8-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decane
CID 97371169
(3S)-3-(1-methylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97371170
5-deuterio-4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine
CID 175792465
1-methyl-4-[(2R)-oxiran-2-yl]pyrazole
CID 83129463
1-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]pyrrolidine
CID 59541880
1-methyl-4-[(3R)-3-methylcyclohexyl]pyrazole
CID 170382090
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 112705229

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylpyrazole?
The IUPAC name of 4-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylpyrazole (CID 91240817) is 4-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylpyrazole.
What is the SMILES notation for 4-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylpyrazole?
The canonical SMILES for 4-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylpyrazole is Cn1cc(C2CCC3(CC2)OCCO3)cn1.
What is the InChIKey of 4-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylpyrazole?
The InChIKey is SYWQBPTVYPPNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14-9-11(8-13-14)10-2-4-12(5-3-10)15-6-7-16-12/h8-10H,2-7H2,1H3.
What are the key properties of 4-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylpyrazole?
4-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylpyrazole has a molecular weight of 222.29 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylpyrazole is sourced from PubChem (CID 91240817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).