1-ethenyl-3-methylpyrazole

C6H8N2 — CID 3016825

IUPAC1-ethenyl-3-methylpyrazole
SMILESC=Cn1ccc(C)n1
InChIInChI=1S/C6H8N2/c1-3-8-5-4-6(2)7-8/h3-5H,1H2,2H3
InChIKeyHXPGEXSWCTYWSC-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.29
Rot. Bonds1

About 1-ethenyl-3-methylpyrazole

1-ethenyl-3-methylpyrazole (PubChem CID 3016825) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 1-ethenyl-3-methylpyrazole.

Molecular Properties

Compound Name1-ethenyl-3-methylpyrazole
PubChem CID3016825
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name1-ethenyl-3-methylpyrazole
SMILESC=Cn1ccc(C)n1
InChIInChI=1S/C6H8N2/c1-3-8-5-4-6(2)7-8/h3-5H,1H2,2H3
InChIKeyHXPGEXSWCTYWSC-UHFFFAOYSA-N
XLogP1.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 136502
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CID 498446
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CID 127159
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CID 818472
CID 818472
CID 423923
CID 423923
CID 573813
CID 573813
CID 12298388
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CID 12711096
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CID 13469816
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CID 13764853
CID 13764853

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-methylpyrazole?
The IUPAC name of 1-ethenyl-3-methylpyrazole (CID 3016825) is 1-ethenyl-3-methylpyrazole.
What is the SMILES notation for 1-ethenyl-3-methylpyrazole?
The canonical SMILES for 1-ethenyl-3-methylpyrazole is C=Cn1ccc(C)n1.
What is the InChIKey of 1-ethenyl-3-methylpyrazole?
The InChIKey is HXPGEXSWCTYWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-3-8-5-4-6(2)7-8/h3-5H,1H2,2H3.
What are the key properties of 1-ethenyl-3-methylpyrazole?
1-ethenyl-3-methylpyrazole has a molecular weight of 108.14 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-methylpyrazole is sourced from PubChem (CID 3016825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).