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

C10H16N2 — CID 144598133

IUPACethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole
SMILESC=C(C)/C=c1/cn[nH]c1=C.CC
InChIInChI=1S/C8H10N2.C2H6/c1-6(2)4-8-5-9-10-7(8)3;1-2/h4-5,10H,1,3H2,2H3;1-2H3/b8-4-;
InChIKeyPNZNBKAKJJBCKE-ZYFYRQFPSA-N
MW164.25 g/mol
LogP1.20
Rot. Bonds1

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

ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole (PubChem CID 144598133) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole.

Molecular Properties

Compound Nameethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole
PubChem CID144598133
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Nameethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole
SMILESC=C(C)/C=c1/cn[nH]c1=C.CC
InChIInChI=1S/C8H10N2.C2H6/c1-6(2)4-8-5-9-10-7(8)3;1-2/h4-5,10H,1,3H2,2H3;1-2H3/b8-4-;
InChIKeyPNZNBKAKJJBCKE-ZYFYRQFPSA-N
XLogP1.20
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole?
The IUPAC name of ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole (CID 144598133) is ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole.
What is the SMILES notation for ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole?
The canonical SMILES for ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole is C=C(C)/C=c1/cn[nH]c1=C.CC.
What is the InChIKey of ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole?
The InChIKey is PNZNBKAKJJBCKE-ZYFYRQFPSA-N. The full InChI is InChI=1S/C8H10N2.C2H6/c1-6(2)4-8-5-9-10-7(8)3;1-2/h4-5,10H,1,3H2,2H3;1-2H3/b8-4-;.
What are the key properties of ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole?
ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole has a molecular weight of 164.25 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole is sourced from PubChem (CID 144598133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).