(3R,5S)-4-ethylidene-3,5-dimethyl-3,5-dihydropyrazole

C7H12N2 — CID 131857314

IUPAC(3R,5S)-4-ethylidene-3,5-dimethyl-3,5-dihydropyrazole
SMILESC/C=C1/[C@H](C)N=N[C@@H]1C
InChIInChI=1S/C7H12N2/c1-4-7-5(2)8-9-6(7)3/h4-6H,1-3H3/b7-4-/t5-,6+/m0/s1
InChIKeyAIKRGQNVLJJJMH-CFDJTYOJSA-N
MW124.19 g/mol
LogP2.18
Rot. Bonds

About (3R,5S)-4-ethylidene-3,5-dimethyl-3,5-dihydropyrazole

(3R,5S)-4-ethylidene-3,5-dimethyl-3,5-dihydropyrazole (PubChem CID 131857314) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (3R,5S)-4-ethylidene-3,5-dimethyl-3,5-dihydropyrazole.

Molecular Properties

Compound Name(3R,5S)-4-ethylidene-3,5-dimethyl-3,5-dihydropyrazole
PubChem CID131857314
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(3R,5S)-4-ethylidene-3,5-dimethyl-3,5-dihydropyrazole
SMILESC/C=C1/[C@H](C)N=N[C@@H]1C
InChIInChI=1S/C7H12N2/c1-4-7-5(2)8-9-6(7)3/h4-6H,1-3H3/b7-4-/t5-,6+/m0/s1
InChIKeyAIKRGQNVLJJJMH-CFDJTYOJSA-N
XLogP2.18
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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 (3R,5S)-4-ethylidene-3,5-dimethyl-3,5-dihydropyrazole?
The IUPAC name of (3R,5S)-4-ethylidene-3,5-dimethyl-3,5-dihydropyrazole (CID 131857314) is (3R,5S)-4-ethylidene-3,5-dimethyl-3,5-dihydropyrazole.
What is the SMILES notation for (3R,5S)-4-ethylidene-3,5-dimethyl-3,5-dihydropyrazole?
The canonical SMILES for (3R,5S)-4-ethylidene-3,5-dimethyl-3,5-dihydropyrazole is C/C=C1/[C@H](C)N=N[C@@H]1C.
What is the InChIKey of (3R,5S)-4-ethylidene-3,5-dimethyl-3,5-dihydropyrazole?
The InChIKey is AIKRGQNVLJJJMH-CFDJTYOJSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-7-5(2)8-9-6(7)3/h4-6H,1-3H3/b7-4-/t5-,6+/m0/s1.
What are the key properties of (3R,5S)-4-ethylidene-3,5-dimethyl-3,5-dihydropyrazole?
(3R,5S)-4-ethylidene-3,5-dimethyl-3,5-dihydropyrazole has a molecular weight of 124.19 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-4-ethylidene-3,5-dimethyl-3,5-dihydropyrazole is sourced from PubChem (CID 131857314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).