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

C9H14N2 — CID 123352560

IUPAC1-ethyl-5-methylidene-4-propan-2-ylidenepyrazole
SMILESC=c1c(=C(C)C)cnn1CC
InChIInChI=1S/C9H14N2/c1-5-11-8(4)9(6-10-11)7(2)3/h6H,4-5H2,1-3H3
InChIKeyUXJMRWMWJLCPBI-UHFFFAOYSA-N
MW150.22 g/mol
LogP0.50
Rot. Bonds1

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

1-ethyl-5-methylidene-4-propan-2-ylidenepyrazole (PubChem CID 123352560) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-ethyl-5-methylidene-4-propan-2-ylidenepyrazole.

Molecular Properties

Compound Name1-ethyl-5-methylidene-4-propan-2-ylidenepyrazole
PubChem CID123352560
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-ethyl-5-methylidene-4-propan-2-ylidenepyrazole
SMILESC=c1c(=C(C)C)cnn1CC
InChIInChI=1S/C9H14N2/c1-5-11-8(4)9(6-10-11)7(2)3/h6H,4-5H2,1-3H3
InChIKeyUXJMRWMWJLCPBI-UHFFFAOYSA-N
XLogP0.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methylidene-4-propan-2-ylidenepyrazole?
The IUPAC name of 1-ethyl-5-methylidene-4-propan-2-ylidenepyrazole (CID 123352560) is 1-ethyl-5-methylidene-4-propan-2-ylidenepyrazole.
What is the SMILES notation for 1-ethyl-5-methylidene-4-propan-2-ylidenepyrazole?
The canonical SMILES for 1-ethyl-5-methylidene-4-propan-2-ylidenepyrazole is C=c1c(=C(C)C)cnn1CC.
What is the InChIKey of 1-ethyl-5-methylidene-4-propan-2-ylidenepyrazole?
The InChIKey is UXJMRWMWJLCPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-5-11-8(4)9(6-10-11)7(2)3/h6H,4-5H2,1-3H3.
What are the key properties of 1-ethyl-5-methylidene-4-propan-2-ylidenepyrazole?
1-ethyl-5-methylidene-4-propan-2-ylidenepyrazole has a molecular weight of 150.22 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methylidene-4-propan-2-ylidenepyrazole is sourced from PubChem (CID 123352560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).