1-methyl-5-methylidene-4-propan-2-ylidenepyrazole

C8H12N2 — CID 123471879

IUPAC1-methyl-5-methylidene-4-propan-2-ylidenepyrazole
SMILESC=c1c(=C(C)C)cnn1C
InChIInChI=1S/C8H12N2/c1-6(2)8-5-9-10(4)7(8)3/h5H,3H2,1-2,4H3
InChIKeyYBZFLFBNTYCDDZ-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.02
Rot. Bonds

About 1-methyl-5-methylidene-4-propan-2-ylidenepyrazole

1-methyl-5-methylidene-4-propan-2-ylidenepyrazole (PubChem CID 123471879) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-methyl-5-methylidene-4-propan-2-ylidenepyrazole.

Molecular Properties

Compound Name1-methyl-5-methylidene-4-propan-2-ylidenepyrazole
PubChem CID123471879
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-methyl-5-methylidene-4-propan-2-ylidenepyrazole
SMILESC=c1c(=C(C)C)cnn1C
InChIInChI=1S/C8H12N2/c1-6(2)8-5-9-10(4)7(8)3/h5H,3H2,1-2,4H3
InChIKeyYBZFLFBNTYCDDZ-UHFFFAOYSA-N
XLogP0.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-methylidene-4-propan-2-ylidenepyrazole?
The IUPAC name of 1-methyl-5-methylidene-4-propan-2-ylidenepyrazole (CID 123471879) is 1-methyl-5-methylidene-4-propan-2-ylidenepyrazole.
What is the SMILES notation for 1-methyl-5-methylidene-4-propan-2-ylidenepyrazole?
The canonical SMILES for 1-methyl-5-methylidene-4-propan-2-ylidenepyrazole is C=c1c(=C(C)C)cnn1C.
What is the InChIKey of 1-methyl-5-methylidene-4-propan-2-ylidenepyrazole?
The InChIKey is YBZFLFBNTYCDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6(2)8-5-9-10(4)7(8)3/h5H,3H2,1-2,4H3.
What are the key properties of 1-methyl-5-methylidene-4-propan-2-ylidenepyrazole?
1-methyl-5-methylidene-4-propan-2-ylidenepyrazole has a molecular weight of 136.20 g/mol, XLogP of 0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-methylidene-4-propan-2-ylidenepyrazole is sourced from PubChem (CID 123471879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).