4-[(Z)-1,6-dioxaspiro[4.4]nonan-2-ylidenemethyl]-3,5-dimethyl-1-phenylpyrazole

C19H22N2O2 — CID 11681134

IUPAC4-[(Z)-1,6-dioxaspiro[4.4]nonan-2-ylidenemethyl]-3,5-dimethyl-1-phenylpyrazole
SMILESCc1nn(-c2ccccc2)c(C)c1/C=C1/CCC2(CCCO2)O1
InChIInChI=1S/C19H22N2O2/c1-14-18(13-17-9-11-19(23-17)10-6-12-22-19)15(2)21(20-14)16-7-4-3-5-8-16/h3-5,7-8,13H,6,9-12H2,1-2H3/b17-13-
InChIKeyHKLYTLJKVJVOAI-LGMDPLHJSA-N
MW310.40 g/mol
LogP4.15
Rot. Bonds2

About 4-[(Z)-1,6-dioxaspiro[4.4]nonan-2-ylidenemethyl]-3,5-dimethyl-1-phenylpyrazole

4-[(Z)-1,6-dioxaspiro[4.4]nonan-2-ylidenemethyl]-3,5-dimethyl-1-phenylpyrazole (PubChem CID 11681134) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-[(Z)-1,6-dioxaspiro[4.4]nonan-2-ylidenemethyl]-3,5-dimethyl-1-phenylpyrazole.

Molecular Properties

Compound Name4-[(Z)-1,6-dioxaspiro[4.4]nonan-2-ylidenemethyl]-3,5-dimethyl-1-phenylpyrazole
PubChem CID11681134
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-[(Z)-1,6-dioxaspiro[4.4]nonan-2-ylidenemethyl]-3,5-dimethyl-1-phenylpyrazole
SMILESCc1nn(-c2ccccc2)c(C)c1/C=C1/CCC2(CCCO2)O1
InChIInChI=1S/C19H22N2O2/c1-14-18(13-17-9-11-19(23-17)10-6-12-22-19)15(2)21(20-14)16-7-4-3-5-8-16/h3-5,7-8,13H,6,9-12H2,1-2H3/b17-13-
InChIKeyHKLYTLJKVJVOAI-LGMDPLHJSA-N
XLogP4.15
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(Z)-1,6-dioxaspiro[4.4]nonan-2-ylidenemethyl]-3,5-dimethyl-1-phenylpyrazole with MolForge

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Related Compounds

1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine
CID 67710570
3,5-dimethyl-1-phenyl-4-[(Z)-prop-1-enyl]pyrazole
CID 143867977
4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 3800498
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]piperazin-1-amine
CID 141411781
1-[5-[(E)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852263
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-en-1-ol
CID 169454458
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopropan-1-amine
CID 105484824
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]propanedinitrile
CID 3771083
(5E)-5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]-3-(2-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 19547889
(3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane
CID 130535844
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 43057713
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide
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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1,6-dioxaspiro[4.4]nonan-2-ylidenemethyl]-3,5-dimethyl-1-phenylpyrazole?
The IUPAC name of 4-[(Z)-1,6-dioxaspiro[4.4]nonan-2-ylidenemethyl]-3,5-dimethyl-1-phenylpyrazole (CID 11681134) is 4-[(Z)-1,6-dioxaspiro[4.4]nonan-2-ylidenemethyl]-3,5-dimethyl-1-phenylpyrazole.
What is the SMILES notation for 4-[(Z)-1,6-dioxaspiro[4.4]nonan-2-ylidenemethyl]-3,5-dimethyl-1-phenylpyrazole?
The canonical SMILES for 4-[(Z)-1,6-dioxaspiro[4.4]nonan-2-ylidenemethyl]-3,5-dimethyl-1-phenylpyrazole is Cc1nn(-c2ccccc2)c(C)c1/C=C1/CCC2(CCCO2)O1.
What is the InChIKey of 4-[(Z)-1,6-dioxaspiro[4.4]nonan-2-ylidenemethyl]-3,5-dimethyl-1-phenylpyrazole?
The InChIKey is HKLYTLJKVJVOAI-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-18(13-17-9-11-19(23-17)10-6-12-22-19)15(2)21(20-14)16-7-4-3-5-8-16/h3-5,7-8,13H,6,9-12H2,1-2H3/b17-13-.
What are the key properties of 4-[(Z)-1,6-dioxaspiro[4.4]nonan-2-ylidenemethyl]-3,5-dimethyl-1-phenylpyrazole?
4-[(Z)-1,6-dioxaspiro[4.4]nonan-2-ylidenemethyl]-3,5-dimethyl-1-phenylpyrazole has a molecular weight of 310.40 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1,6-dioxaspiro[4.4]nonan-2-ylidenemethyl]-3,5-dimethyl-1-phenylpyrazole is sourced from PubChem (CID 11681134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).