3,5-dimethyl-1-(2-prop-2-enoxyethyl)pyrazole

C10H16N2O — CID 3149351

IUPAC3,5-dimethyl-1-(2-prop-2-enoxyethyl)pyrazole
SMILESC=CCOCCn1nc(C)cc1C
InChIInChI=1S/C10H16N2O/c1-4-6-13-7-5-12-10(3)8-9(2)11-12/h4,8H,1,5-7H2,2-3H3
InChIKeyNWVRZJWMAHBPHK-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.70
Rot. Bonds5

About 3,5-dimethyl-1-(2-prop-2-enoxyethyl)pyrazole

3,5-dimethyl-1-(2-prop-2-enoxyethyl)pyrazole (PubChem CID 3149351) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2-prop-2-enoxyethyl)pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-(2-prop-2-enoxyethyl)pyrazole
PubChem CID3149351
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3,5-dimethyl-1-(2-prop-2-enoxyethyl)pyrazole
SMILESC=CCOCCn1nc(C)cc1C
InChIInChI=1S/C10H16N2O/c1-4-6-13-7-5-12-10(3)8-9(2)11-12/h4,8H,1,5-7H2,2-3H3
InChIKeyNWVRZJWMAHBPHK-UHFFFAOYSA-N
XLogP1.70
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Allyl-3,5-dimethylpyrazole
CID 25930
2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethan-1-ol
CID 259665
1-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole
CID 21014234
4-[(1-Cyclohexyl-5-methylpyrazol-3-yl)methyl]morpholine
CID 155519936
1-Butyl-3,5-dimethyl-1H-pyrazole
CID 573083
2,8,9-Trioxa-5-aza-1-germabicyclo(3.3.3)undecane, 1-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)-
CID 16684629
2-[(3,5-Dimethylpyrazol-1-yl)methyl]-4-(3-methylbut-2-enyl)morpholine
CID 53558746
1-[[1-(2-Methoxyethyl)pyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
CID 56780552
Ethyl 2-(3,5-dimethyl-1h-pyrazol-1-yl)acetate
CID 4712180
2-[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]ethanol
CID 19619759
2-[3-Methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanol
CID 89833798
4-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)morpholine
CID 52141999

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2-prop-2-enoxyethyl)pyrazole?
The IUPAC name of 3,5-dimethyl-1-(2-prop-2-enoxyethyl)pyrazole (CID 3149351) is 3,5-dimethyl-1-(2-prop-2-enoxyethyl)pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-(2-prop-2-enoxyethyl)pyrazole?
The canonical SMILES for 3,5-dimethyl-1-(2-prop-2-enoxyethyl)pyrazole is C=CCOCCn1nc(C)cc1C.
What is the InChIKey of 3,5-dimethyl-1-(2-prop-2-enoxyethyl)pyrazole?
The InChIKey is NWVRZJWMAHBPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-6-13-7-5-12-10(3)8-9(2)11-12/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 3,5-dimethyl-1-(2-prop-2-enoxyethyl)pyrazole?
3,5-dimethyl-1-(2-prop-2-enoxyethyl)pyrazole has a molecular weight of 180.25 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2-prop-2-enoxyethyl)pyrazole is sourced from PubChem (CID 3149351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).