(4E,5E)-4-ethylidene-5-hexylidene-1-methylpyrazole

C12H20N2 — CID 129238614

IUPAC(4E,5E)-4-ethylidene-5-hexylidene-1-methylpyrazole
SMILESC/C=c1/cnn(C)/c1=C/CCCCC
InChIInChI=1S/C12H20N2/c1-4-6-7-8-9-12-11(5-2)10-13-14(12)3/h5,9-10H,4,6-8H2,1-3H3/b11-5-,12-9+
InChIKeyRCNIKIAYWWPCSI-UGBPPHGSSA-N
MW192.31 g/mol
LogP1.58
Rot. Bonds4

About (4E,5E)-4-ethylidene-5-hexylidene-1-methylpyrazole

(4E,5E)-4-ethylidene-5-hexylidene-1-methylpyrazole (PubChem CID 129238614) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (4E,5E)-4-ethylidene-5-hexylidene-1-methylpyrazole.

Molecular Properties

Compound Name(4E,5E)-4-ethylidene-5-hexylidene-1-methylpyrazole
PubChem CID129238614
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(4E,5E)-4-ethylidene-5-hexylidene-1-methylpyrazole
SMILESC/C=c1/cnn(C)/c1=C/CCCCC
InChIInChI=1S/C12H20N2/c1-4-6-7-8-9-12-11(5-2)10-13-14(12)3/h5,9-10H,4,6-8H2,1-3H3/b11-5-,12-9+
InChIKeyRCNIKIAYWWPCSI-UGBPPHGSSA-N
XLogP1.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-ethylidene-5-hexylidene-1-methylpyrazole?
The IUPAC name of (4E,5E)-4-ethylidene-5-hexylidene-1-methylpyrazole (CID 129238614) is (4E,5E)-4-ethylidene-5-hexylidene-1-methylpyrazole.
What is the SMILES notation for (4E,5E)-4-ethylidene-5-hexylidene-1-methylpyrazole?
The canonical SMILES for (4E,5E)-4-ethylidene-5-hexylidene-1-methylpyrazole is C/C=c1/cnn(C)/c1=C/CCCCC.
What is the InChIKey of (4E,5E)-4-ethylidene-5-hexylidene-1-methylpyrazole?
The InChIKey is RCNIKIAYWWPCSI-UGBPPHGSSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-6-7-8-9-12-11(5-2)10-13-14(12)3/h5,9-10H,4,6-8H2,1-3H3/b11-5-,12-9+.
What are the key properties of (4E,5E)-4-ethylidene-5-hexylidene-1-methylpyrazole?
(4E,5E)-4-ethylidene-5-hexylidene-1-methylpyrazole has a molecular weight of 192.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-ethylidene-5-hexylidene-1-methylpyrazole is sourced from PubChem (CID 129238614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).