(4Z)-3-ethyl-4-ethylidene-3,5-dihydropyrazole

C7H12N2 — CID 123454714

IUPAC(4Z)-3-ethyl-4-ethylidene-3,5-dihydropyrazole
SMILESC/C=C1/CN=NC1CC
InChIInChI=1S/C7H12N2/c1-3-6-5-8-9-7(6)4-2/h3,7H,4-5H2,1-2H3/b6-3-
InChIKeyYKYSKRSIIJDKGF-UTCJRWHESA-N
MW124.19 g/mol
LogP2.18
Rot. Bonds1

About (4Z)-3-ethyl-4-ethylidene-3,5-dihydropyrazole

(4Z)-3-ethyl-4-ethylidene-3,5-dihydropyrazole (PubChem CID 123454714) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (4Z)-3-ethyl-4-ethylidene-3,5-dihydropyrazole.

Molecular Properties

Compound Name(4Z)-3-ethyl-4-ethylidene-3,5-dihydropyrazole
PubChem CID123454714
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(4Z)-3-ethyl-4-ethylidene-3,5-dihydropyrazole
SMILESC/C=C1/CN=NC1CC
InChIInChI=1S/C7H12N2/c1-3-6-5-8-9-7(6)4-2/h3,7H,4-5H2,1-2H3/b6-3-
InChIKeyYKYSKRSIIJDKGF-UTCJRWHESA-N
XLogP2.18
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-3-ethyl-4-ethylidene-3,5-dihydropyrazole?
The IUPAC name of (4Z)-3-ethyl-4-ethylidene-3,5-dihydropyrazole (CID 123454714) is (4Z)-3-ethyl-4-ethylidene-3,5-dihydropyrazole.
What is the SMILES notation for (4Z)-3-ethyl-4-ethylidene-3,5-dihydropyrazole?
The canonical SMILES for (4Z)-3-ethyl-4-ethylidene-3,5-dihydropyrazole is C/C=C1/CN=NC1CC.
What is the InChIKey of (4Z)-3-ethyl-4-ethylidene-3,5-dihydropyrazole?
The InChIKey is YKYSKRSIIJDKGF-UTCJRWHESA-N. The full InChI is InChI=1S/C7H12N2/c1-3-6-5-8-9-7(6)4-2/h3,7H,4-5H2,1-2H3/b6-3-.
What are the key properties of (4Z)-3-ethyl-4-ethylidene-3,5-dihydropyrazole?
(4Z)-3-ethyl-4-ethylidene-3,5-dihydropyrazole has a molecular weight of 124.19 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-ethyl-4-ethylidene-3,5-dihydropyrazole is sourced from PubChem (CID 123454714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).