(4E)-4-ethylidene-5-methylidene-1H-pyrazole

C6H8N2 — CID 147871109

IUPAC(4E)-4-ethylidene-5-methylidene-1H-pyrazole
SMILESC=c1[nH]nc/c1=C/C
InChIInChI=1S/C6H8N2/c1-3-6-4-7-8-5(6)2/h3-4,8H,2H2,1H3/b6-3-
InChIKeyHYQAUEGMOAJJCB-UTCJRWHESA-N
MW108.14 g/mol
LogP-0.38
Rot. Bonds

About (4E)-4-ethylidene-5-methylidene-1H-pyrazole

(4E)-4-ethylidene-5-methylidene-1H-pyrazole (PubChem CID 147871109) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is (4E)-4-ethylidene-5-methylidene-1H-pyrazole.

Molecular Properties

Compound Name(4E)-4-ethylidene-5-methylidene-1H-pyrazole
PubChem CID147871109
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name(4E)-4-ethylidene-5-methylidene-1H-pyrazole
SMILESC=c1[nH]nc/c1=C/C
InChIInChI=1S/C6H8N2/c1-3-6-4-7-8-5(6)2/h3-4,8H,2H2,1H3/b6-3-
InChIKeyHYQAUEGMOAJJCB-UTCJRWHESA-N
XLogP-0.38
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-ethylidene-5-methylidene-1H-pyrazole?
The IUPAC name of (4E)-4-ethylidene-5-methylidene-1H-pyrazole (CID 147871109) is (4E)-4-ethylidene-5-methylidene-1H-pyrazole.
What is the SMILES notation for (4E)-4-ethylidene-5-methylidene-1H-pyrazole?
The canonical SMILES for (4E)-4-ethylidene-5-methylidene-1H-pyrazole is C=c1[nH]nc/c1=C/C.
What is the InChIKey of (4E)-4-ethylidene-5-methylidene-1H-pyrazole?
The InChIKey is HYQAUEGMOAJJCB-UTCJRWHESA-N. The full InChI is InChI=1S/C6H8N2/c1-3-6-4-7-8-5(6)2/h3-4,8H,2H2,1H3/b6-3-.
What are the key properties of (4E)-4-ethylidene-5-methylidene-1H-pyrazole?
(4E)-4-ethylidene-5-methylidene-1H-pyrazole has a molecular weight of 108.14 g/mol, XLogP of -0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethylidene-5-methylidene-1H-pyrazole is sourced from PubChem (CID 147871109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).