(4E,5E)-1,3-dimethyl-4-(2-methylpropylidene)-5-prop-2-enylidenepyrazole;ethane

C14H24N2 — CID 145152735

IUPAC(4E,5E)-1,3-dimethyl-4-(2-methylpropylidene)-5-prop-2-enylidenepyrazole;ethane
SMILESC=C/C=c1\c(=C/C(C)C)c(C)nn1C.CC
InChIInChI=1S/C12H18N2.C2H6/c1-6-7-12-11(8-9(2)3)10(4)13-14(12)5;1-2/h6-9H,1H2,2-5H3;1-2H3/b11-8-,12-7+;
InChIKeyXKCAKDRQRNUIGF-TZMARPLHSA-N
MW220.36 g/mol
LogP2.16
Rot. Bonds2

About (4E,5E)-1,3-dimethyl-4-(2-methylpropylidene)-5-prop-2-enylidenepyrazole;ethane

(4E,5E)-1,3-dimethyl-4-(2-methylpropylidene)-5-prop-2-enylidenepyrazole;ethane (PubChem CID 145152735) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (4E,5E)-1,3-dimethyl-4-(2-methylpropylidene)-5-prop-2-enylidenepyrazole;ethane.

Molecular Properties

Compound Name(4E,5E)-1,3-dimethyl-4-(2-methylpropylidene)-5-prop-2-enylidenepyrazole;ethane
PubChem CID145152735
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(4E,5E)-1,3-dimethyl-4-(2-methylpropylidene)-5-prop-2-enylidenepyrazole;ethane
SMILESC=C/C=c1\c(=C/C(C)C)c(C)nn1C.CC
InChIInChI=1S/C12H18N2.C2H6/c1-6-7-12-11(8-9(2)3)10(4)13-14(12)5;1-2/h6-9H,1H2,2-5H3;1-2H3/b11-8-,12-7+;
InChIKeyXKCAKDRQRNUIGF-TZMARPLHSA-N
XLogP2.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-1,3-dimethyl-4-(2-methylpropylidene)-5-prop-2-enylidenepyrazole;ethane?
The IUPAC name of (4E,5E)-1,3-dimethyl-4-(2-methylpropylidene)-5-prop-2-enylidenepyrazole;ethane (CID 145152735) is (4E,5E)-1,3-dimethyl-4-(2-methylpropylidene)-5-prop-2-enylidenepyrazole;ethane.
What is the SMILES notation for (4E,5E)-1,3-dimethyl-4-(2-methylpropylidene)-5-prop-2-enylidenepyrazole;ethane?
The canonical SMILES for (4E,5E)-1,3-dimethyl-4-(2-methylpropylidene)-5-prop-2-enylidenepyrazole;ethane is C=C/C=c1\c(=C/C(C)C)c(C)nn1C.CC.
What is the InChIKey of (4E,5E)-1,3-dimethyl-4-(2-methylpropylidene)-5-prop-2-enylidenepyrazole;ethane?
The InChIKey is XKCAKDRQRNUIGF-TZMARPLHSA-N. The full InChI is InChI=1S/C12H18N2.C2H6/c1-6-7-12-11(8-9(2)3)10(4)13-14(12)5;1-2/h6-9H,1H2,2-5H3;1-2H3/b11-8-,12-7+;.
What are the key properties of (4E,5E)-1,3-dimethyl-4-(2-methylpropylidene)-5-prop-2-enylidenepyrazole;ethane?
(4E,5E)-1,3-dimethyl-4-(2-methylpropylidene)-5-prop-2-enylidenepyrazole;ethane has a molecular weight of 220.36 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-1,3-dimethyl-4-(2-methylpropylidene)-5-prop-2-enylidenepyrazole;ethane is sourced from PubChem (CID 145152735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).