1-(2-cyclobutylideneethyl)-3,5-dimethylpyrazole

C11H16N2 — CID 130964709

IUPAC1-(2-cyclobutylideneethyl)-3,5-dimethylpyrazole
SMILESCc1cc(C)n(CC=C2CCC2)n1
InChIInChI=1S/C11H16N2/c1-9-8-10(2)13(12-9)7-6-11-4-3-5-11/h6,8H,3-5,7H2,1-2H3
InChIKeyTZIMHXXEGDRWOG-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.61
Rot. Bonds2

About 1-(2-cyclobutylideneethyl)-3,5-dimethylpyrazole

1-(2-cyclobutylideneethyl)-3,5-dimethylpyrazole (PubChem CID 130964709) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-(2-cyclobutylideneethyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(2-cyclobutylideneethyl)-3,5-dimethylpyrazole
PubChem CID130964709
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-(2-cyclobutylideneethyl)-3,5-dimethylpyrazole
SMILESCc1cc(C)n(CC=C2CCC2)n1
InChIInChI=1S/C11H16N2/c1-9-8-10(2)13(12-9)7-6-11-4-3-5-11/h6,8H,3-5,7H2,1-2H3
InChIKeyTZIMHXXEGDRWOG-UHFFFAOYSA-N
XLogP2.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-4-(3,5-dimethylpyrazol-1-yl)but-2-enyl]-3,5-dimethylpyrazole
CID 2055740
3,5-dimethyl-1-prop-2-enylpyrazole
CID 25930
1-ethyl-3,5-dimethylpyrazole
CID 565993
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62447780
1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole
CID 20774327
1-(2-ethoxyethyl)-3,5-dimethylpyrazole
CID 15154386
3,5-dimethyl-1-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]pyrazole
CID 95341473
1-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-dimethylpyrazole
CID 106440153
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]cyclobutanamine
CID 91636205
3,5-dimethyl-1-(3-methylbutyl)pyrazole
CID 59748002
(4Z)-4-[(2-ethyl-5-methylpyrazol-3-yl)methylidene]azepane
CID 103983725
3-[(3,5-dimethylpyrazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 113220710

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylideneethyl)-3,5-dimethylpyrazole?
The IUPAC name of 1-(2-cyclobutylideneethyl)-3,5-dimethylpyrazole (CID 130964709) is 1-(2-cyclobutylideneethyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(2-cyclobutylideneethyl)-3,5-dimethylpyrazole?
The canonical SMILES for 1-(2-cyclobutylideneethyl)-3,5-dimethylpyrazole is Cc1cc(C)n(CC=C2CCC2)n1.
What is the InChIKey of 1-(2-cyclobutylideneethyl)-3,5-dimethylpyrazole?
The InChIKey is TZIMHXXEGDRWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9-8-10(2)13(12-9)7-6-11-4-3-5-11/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 1-(2-cyclobutylideneethyl)-3,5-dimethylpyrazole?
1-(2-cyclobutylideneethyl)-3,5-dimethylpyrazole has a molecular weight of 176.26 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylideneethyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 130964709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).