4-but-1-en-2-yl-1-methylpyrazole

C8H12N2 — CID 89160989

IUPAC4-but-1-en-2-yl-1-methylpyrazole
SMILESC=C(CC)c1cnn(C)c1
InChIInChI=1S/C8H12N2/c1-4-7(2)8-5-9-10(3)6-8/h5-6H,2,4H2,1,3H3
InChIKeyBSGDYPDZHRTQOL-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.84
Rot. Bonds2

About 4-but-1-en-2-yl-1-methylpyrazole

4-but-1-en-2-yl-1-methylpyrazole (PubChem CID 89160989) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 4-but-1-en-2-yl-1-methylpyrazole.

Molecular Properties

Compound Name4-but-1-en-2-yl-1-methylpyrazole
PubChem CID89160989
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name4-but-1-en-2-yl-1-methylpyrazole
SMILESC=C(CC)c1cnn(C)c1
InChIInChI=1S/C8H12N2/c1-4-7(2)8-5-9-10(3)6-8/h5-6H,2,4H2,1,3H3
InChIKeyBSGDYPDZHRTQOL-UHFFFAOYSA-N
XLogP1.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
CID 79190260
3-ethyl-1-(1-methylpyrazol-4-yl)pent-2-en-1-one
CID 103458627
2-methoxy-1-(1-methylpyrazol-4-yl)butan-1-one
CID 116707258
3-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone
CID 114963936
1-methylpyrazole-4-carboxylate
CID 6979031
N-[(4E,6E)-5-methyl-3-methylidene-6-(1-methylpyrazol-4-yl)octa-4,6-dien-4-yl]propan-2-imine
CID 167215447
N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride
CID 130678775
1-(1-methylpyrazol-4-yl)but-3-yn-1-one
CID 65195300
2-(methylamino)-1-(1-methylpyrazol-4-yl)ethanone
CID 82595196
3-amino-1-(1-methylpyrazol-4-yl)propan-1-one
CID 82416925
(4Z,5Z)-4-butan-2-ylidene-5-[1-(1-methylpyrazol-4-yl)propylidene]-N-prop-1-en-2-yl-1H-imidazol-2-amine
CID 167233554
N,N,1-trimethylpyrazole-4-carbothioamide
CID 163198763

Frequently Asked Questions

What is the IUPAC name of 4-but-1-en-2-yl-1-methylpyrazole?
The IUPAC name of 4-but-1-en-2-yl-1-methylpyrazole (CID 89160989) is 4-but-1-en-2-yl-1-methylpyrazole.
What is the SMILES notation for 4-but-1-en-2-yl-1-methylpyrazole?
The canonical SMILES for 4-but-1-en-2-yl-1-methylpyrazole is C=C(CC)c1cnn(C)c1.
What is the InChIKey of 4-but-1-en-2-yl-1-methylpyrazole?
The InChIKey is BSGDYPDZHRTQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-7(2)8-5-9-10(3)6-8/h5-6H,2,4H2,1,3H3.
What are the key properties of 4-but-1-en-2-yl-1-methylpyrazole?
4-but-1-en-2-yl-1-methylpyrazole has a molecular weight of 136.20 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-1-en-2-yl-1-methylpyrazole is sourced from PubChem (CID 89160989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).