(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole

C8H10N2 — CID 89469096

IUPAC(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole
SMILESC=C(C)/C=c1/cn[nH]c1=C
InChIInChI=1S/C8H10N2/c1-6(2)4-8-5-9-10-7(8)3/h4-5,10H,1,3H2,2H3/b8-4-
InChIKeyLSUMKCQUTJNTBW-YWEYNIOJSA-N
MW134.18 g/mol
LogP0.18
Rot. Bonds1

About (4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole

(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole (PubChem CID 89469096) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is (4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole.

Molecular Properties

Compound Name(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole
PubChem CID89469096
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole
SMILESC=C(C)/C=c1/cn[nH]c1=C
InChIInChI=1S/C8H10N2/c1-6(2)4-8-5-9-10-7(8)3/h4-5,10H,1,3H2,2H3/b8-4-
InChIKeyLSUMKCQUTJNTBW-YWEYNIOJSA-N
XLogP0.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole?
The IUPAC name of (4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole (CID 89469096) is (4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole.
What is the SMILES notation for (4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole?
The canonical SMILES for (4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole is C=C(C)/C=c1/cn[nH]c1=C.
What is the InChIKey of (4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole?
The InChIKey is LSUMKCQUTJNTBW-YWEYNIOJSA-N. The full InChI is InChI=1S/C8H10N2/c1-6(2)4-8-5-9-10-7(8)3/h4-5,10H,1,3H2,2H3/b8-4-.
What are the key properties of (4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole?
(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole has a molecular weight of 134.18 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole is sourced from PubChem (CID 89469096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).