(4E)-4-ethylidene-3-(4-fluorophenyl)-5-methylidene-1H-pyrazole

C12H11FN2 — CID 71190810

IUPAC(4E)-4-ethylidene-3-(4-fluorophenyl)-5-methylidene-1H-pyrazole
SMILESC=c1[nH]nc(-c2ccc(F)cc2)/c1=C/C
InChIInChI=1S/C12H11FN2/c1-3-11-8(2)14-15-12(11)9-4-6-10(13)7-5-9/h3-7,14H,2H2,1H3/b11-3+
InChIKeyHWBSDHJVPUBOON-QDEBKDIKSA-N
MW202.23 g/mol
LogP1.43
Rot. Bonds1

About (4E)-4-ethylidene-3-(4-fluorophenyl)-5-methylidene-1H-pyrazole

(4E)-4-ethylidene-3-(4-fluorophenyl)-5-methylidene-1H-pyrazole (PubChem CID 71190810) has the molecular formula C12H11FN2 and a molecular weight of 202.23 g/mol. Its IUPAC name is (4E)-4-ethylidene-3-(4-fluorophenyl)-5-methylidene-1H-pyrazole.

Molecular Properties

Compound Name(4E)-4-ethylidene-3-(4-fluorophenyl)-5-methylidene-1H-pyrazole
PubChem CID71190810
Molecular FormulaC12H11FN2
Molecular Weight202.23 g/mol
Exact Mass202.09
IUPAC Name(4E)-4-ethylidene-3-(4-fluorophenyl)-5-methylidene-1H-pyrazole
SMILESC=c1[nH]nc(-c2ccc(F)cc2)/c1=C/C
InChIInChI=1S/C12H11FN2/c1-3-11-8(2)14-15-12(11)9-4-6-10(13)7-5-9/h3-7,14H,2H2,1H3/b11-3+
InChIKeyHWBSDHJVPUBOON-QDEBKDIKSA-N
XLogP1.43
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-ethylidene-3-(4-fluorophenyl)-5-methylidene-1H-pyrazole?
The IUPAC name of (4E)-4-ethylidene-3-(4-fluorophenyl)-5-methylidene-1H-pyrazole (CID 71190810) is (4E)-4-ethylidene-3-(4-fluorophenyl)-5-methylidene-1H-pyrazole.
What is the SMILES notation for (4E)-4-ethylidene-3-(4-fluorophenyl)-5-methylidene-1H-pyrazole?
The canonical SMILES for (4E)-4-ethylidene-3-(4-fluorophenyl)-5-methylidene-1H-pyrazole is C=c1[nH]nc(-c2ccc(F)cc2)/c1=C/C.
What is the InChIKey of (4E)-4-ethylidene-3-(4-fluorophenyl)-5-methylidene-1H-pyrazole?
The InChIKey is HWBSDHJVPUBOON-QDEBKDIKSA-N. The full InChI is InChI=1S/C12H11FN2/c1-3-11-8(2)14-15-12(11)9-4-6-10(13)7-5-9/h3-7,14H,2H2,1H3/b11-3+.
What are the key properties of (4E)-4-ethylidene-3-(4-fluorophenyl)-5-methylidene-1H-pyrazole?
(4E)-4-ethylidene-3-(4-fluorophenyl)-5-methylidene-1H-pyrazole has a molecular weight of 202.23 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethylidene-3-(4-fluorophenyl)-5-methylidene-1H-pyrazole is sourced from PubChem (CID 71190810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).