(4E,5E)-4,5-di(ethylidene)-1-propan-2-ylpyrazole

C10H16N2 — CID 155050844

IUPAC(4E,5E)-4,5-di(ethylidene)-1-propan-2-ylpyrazole
SMILESC/C=c1/cnn(C(C)C)/c1=C/C
InChIInChI=1S/C10H16N2/c1-5-9-7-11-12(8(3)4)10(9)6-2/h5-8H,1-4H3/b9-5-,10-6+
InChIKeyXMSJWLVMEYDPGS-VTBWALSUSA-N
MW164.25 g/mol
LogP1.06
Rot. Bonds1

About (4E,5E)-4,5-di(ethylidene)-1-propan-2-ylpyrazole

(4E,5E)-4,5-di(ethylidene)-1-propan-2-ylpyrazole (PubChem CID 155050844) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (4E,5E)-4,5-di(ethylidene)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name(4E,5E)-4,5-di(ethylidene)-1-propan-2-ylpyrazole
PubChem CID155050844
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(4E,5E)-4,5-di(ethylidene)-1-propan-2-ylpyrazole
SMILESC/C=c1/cnn(C(C)C)/c1=C/C
InChIInChI=1S/C10H16N2/c1-5-9-7-11-12(8(3)4)10(9)6-2/h5-8H,1-4H3/b9-5-,10-6+
InChIKeyXMSJWLVMEYDPGS-VTBWALSUSA-N
XLogP1.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4,5-di(ethylidene)-1-propan-2-ylpyrazole?
The IUPAC name of (4E,5E)-4,5-di(ethylidene)-1-propan-2-ylpyrazole (CID 155050844) is (4E,5E)-4,5-di(ethylidene)-1-propan-2-ylpyrazole.
What is the SMILES notation for (4E,5E)-4,5-di(ethylidene)-1-propan-2-ylpyrazole?
The canonical SMILES for (4E,5E)-4,5-di(ethylidene)-1-propan-2-ylpyrazole is C/C=c1/cnn(C(C)C)/c1=C/C.
What is the InChIKey of (4E,5E)-4,5-di(ethylidene)-1-propan-2-ylpyrazole?
The InChIKey is XMSJWLVMEYDPGS-VTBWALSUSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-9-7-11-12(8(3)4)10(9)6-2/h5-8H,1-4H3/b9-5-,10-6+.
What are the key properties of (4E,5E)-4,5-di(ethylidene)-1-propan-2-ylpyrazole?
(4E,5E)-4,5-di(ethylidene)-1-propan-2-ylpyrazole has a molecular weight of 164.25 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4,5-di(ethylidene)-1-propan-2-ylpyrazole is sourced from PubChem (CID 155050844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).