(4E)-1,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrazole

C9H12N2 — CID 144599888

IUPAC(4E)-1,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrazole
SMILESC=C/C=c1/c(C)nn(C)c1=C
InChIInChI=1S/C9H12N2/c1-5-6-9-7(2)10-11(4)8(9)3/h5-6H,1,3H2,2,4H3/b9-6-
InChIKeyGJOODHYHGHWIEP-TWGQIWQCSA-N
MW148.21 g/mol
LogP0.11
Rot. Bonds1

About (4E)-1,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrazole

(4E)-1,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrazole (PubChem CID 144599888) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (4E)-1,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrazole.

Molecular Properties

Compound Name(4E)-1,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrazole
PubChem CID144599888
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(4E)-1,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrazole
SMILESC=C/C=c1/c(C)nn(C)c1=C
InChIInChI=1S/C9H12N2/c1-5-6-9-7(2)10-11(4)8(9)3/h5-6H,1,3H2,2,4H3/b9-6-
InChIKeyGJOODHYHGHWIEP-TWGQIWQCSA-N
XLogP0.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E)-1,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrazole?
The IUPAC name of (4E)-1,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrazole (CID 144599888) is (4E)-1,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrazole.
What is the SMILES notation for (4E)-1,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrazole?
The canonical SMILES for (4E)-1,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrazole is C=C/C=c1/c(C)nn(C)c1=C.
What is the InChIKey of (4E)-1,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrazole?
The InChIKey is GJOODHYHGHWIEP-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H12N2/c1-5-6-9-7(2)10-11(4)8(9)3/h5-6H,1,3H2,2,4H3/b9-6-.
What are the key properties of (4E)-1,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrazole?
(4E)-1,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrazole has a molecular weight of 148.21 g/mol, XLogP of 0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-1,3-dimethyl-5-methylidene-4-prop-2-enylidenepyrazole is sourced from PubChem (CID 144599888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).