5-ethylidene-4-(3-methylpent-2-enylidene)-1H-pyrazole

C11H16N2 — CID 123972224

IUPAC5-ethylidene-4-(3-methylpent-2-enylidene)-1H-pyrazole
SMILESCC=c1[nH]ncc1=CC=C(C)CC
InChIInChI=1S/C11H16N2/c1-4-9(3)6-7-10-8-12-13-11(10)5-2/h5-8,13H,4H2,1-3H3
InChIKeyYRYLDUVNHJFABQ-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.35
Rot. Bonds2

About 5-ethylidene-4-(3-methylpent-2-enylidene)-1H-pyrazole

5-ethylidene-4-(3-methylpent-2-enylidene)-1H-pyrazole (PubChem CID 123972224) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 5-ethylidene-4-(3-methylpent-2-enylidene)-1H-pyrazole.

Molecular Properties

Compound Name5-ethylidene-4-(3-methylpent-2-enylidene)-1H-pyrazole
PubChem CID123972224
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name5-ethylidene-4-(3-methylpent-2-enylidene)-1H-pyrazole
SMILESCC=c1[nH]ncc1=CC=C(C)CC
InChIInChI=1S/C11H16N2/c1-4-9(3)6-7-10-8-12-13-11(10)5-2/h5-8,13H,4H2,1-3H3
InChIKeyYRYLDUVNHJFABQ-UHFFFAOYSA-N
XLogP1.35
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethylidene-4-(3-methylpent-2-enylidene)-1H-pyrazole?
The IUPAC name of 5-ethylidene-4-(3-methylpent-2-enylidene)-1H-pyrazole (CID 123972224) is 5-ethylidene-4-(3-methylpent-2-enylidene)-1H-pyrazole.
What is the SMILES notation for 5-ethylidene-4-(3-methylpent-2-enylidene)-1H-pyrazole?
The canonical SMILES for 5-ethylidene-4-(3-methylpent-2-enylidene)-1H-pyrazole is CC=c1[nH]ncc1=CC=C(C)CC.
What is the InChIKey of 5-ethylidene-4-(3-methylpent-2-enylidene)-1H-pyrazole?
The InChIKey is YRYLDUVNHJFABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-4-9(3)6-7-10-8-12-13-11(10)5-2/h5-8,13H,4H2,1-3H3.
What are the key properties of 5-ethylidene-4-(3-methylpent-2-enylidene)-1H-pyrazole?
5-ethylidene-4-(3-methylpent-2-enylidene)-1H-pyrazole has a molecular weight of 176.26 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-4-(3-methylpent-2-enylidene)-1H-pyrazole is sourced from PubChem (CID 123972224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).