(4E)-4-ethylidene-3-methyl-1,5-dihydropyrazole

C6H10N2 — CID 170004766

IUPAC(4E)-4-ethylidene-3-methyl-1,5-dihydropyrazole
SMILESC/C=C1\CNN=C1C
InChIInChI=1S/C6H10N2/c1-3-6-4-7-8-5(6)2/h3,7H,4H2,1-2H3/b6-3+
InChIKeyMVUOAUDRHPSVLE-ZZXKWVIFSA-N
MW110.16 g/mol
LogP0.91
Rot. Bonds

About (4E)-4-ethylidene-3-methyl-1,5-dihydropyrazole

(4E)-4-ethylidene-3-methyl-1,5-dihydropyrazole (PubChem CID 170004766) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (4E)-4-ethylidene-3-methyl-1,5-dihydropyrazole.

Molecular Properties

Compound Name(4E)-4-ethylidene-3-methyl-1,5-dihydropyrazole
PubChem CID170004766
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(4E)-4-ethylidene-3-methyl-1,5-dihydropyrazole
SMILESC/C=C1\CNN=C1C
InChIInChI=1S/C6H10N2/c1-3-6-4-7-8-5(6)2/h3,7H,4H2,1-2H3/b6-3+
InChIKeyMVUOAUDRHPSVLE-ZZXKWVIFSA-N
XLogP0.91
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-ethylidene-3-methyl-1,5-dihydropyrazole?
The IUPAC name of (4E)-4-ethylidene-3-methyl-1,5-dihydropyrazole (CID 170004766) is (4E)-4-ethylidene-3-methyl-1,5-dihydropyrazole.
What is the SMILES notation for (4E)-4-ethylidene-3-methyl-1,5-dihydropyrazole?
The canonical SMILES for (4E)-4-ethylidene-3-methyl-1,5-dihydropyrazole is C/C=C1\CNN=C1C.
What is the InChIKey of (4E)-4-ethylidene-3-methyl-1,5-dihydropyrazole?
The InChIKey is MVUOAUDRHPSVLE-ZZXKWVIFSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-6-4-7-8-5(6)2/h3,7H,4H2,1-2H3/b6-3+.
What are the key properties of (4E)-4-ethylidene-3-methyl-1,5-dihydropyrazole?
(4E)-4-ethylidene-3-methyl-1,5-dihydropyrazole has a molecular weight of 110.16 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethylidene-3-methyl-1,5-dihydropyrazole is sourced from PubChem (CID 170004766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).