4-[(E)-2,3-dimethylbut-1-enyl]-3-ethenyl-1-propan-2-ylpyrazole

C14H22N2 — CID 177134617

IUPAC4-[(E)-2,3-dimethylbut-1-enyl]-3-ethenyl-1-propan-2-ylpyrazole
SMILESC=Cc1nn(C(C)C)cc1/C=C(\C)C(C)C
InChIInChI=1S/C14H22N2/c1-7-14-13(8-12(6)10(2)3)9-16(15-14)11(4)5/h7-11H,1H2,2-6H3/b12-8+
InChIKeyUKUHEGFAMRFDLH-XYOKQWHBSA-N
MW218.34 g/mol
LogP4.17
Rot. Bonds4

About 4-[(E)-2,3-dimethylbut-1-enyl]-3-ethenyl-1-propan-2-ylpyrazole

4-[(E)-2,3-dimethylbut-1-enyl]-3-ethenyl-1-propan-2-ylpyrazole (PubChem CID 177134617) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-[(E)-2,3-dimethylbut-1-enyl]-3-ethenyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-[(E)-2,3-dimethylbut-1-enyl]-3-ethenyl-1-propan-2-ylpyrazole
PubChem CID177134617
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-[(E)-2,3-dimethylbut-1-enyl]-3-ethenyl-1-propan-2-ylpyrazole
SMILESC=Cc1nn(C(C)C)cc1/C=C(\C)C(C)C
InChIInChI=1S/C14H22N2/c1-7-14-13(8-12(6)10(2)3)9-16(15-14)11(4)5/h7-11H,1H2,2-6H3/b12-8+
InChIKeyUKUHEGFAMRFDLH-XYOKQWHBSA-N
XLogP4.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2,3-dimethylbut-1-enyl]-3-ethenyl-1-propan-2-ylpyrazole?
The IUPAC name of 4-[(E)-2,3-dimethylbut-1-enyl]-3-ethenyl-1-propan-2-ylpyrazole (CID 177134617) is 4-[(E)-2,3-dimethylbut-1-enyl]-3-ethenyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 4-[(E)-2,3-dimethylbut-1-enyl]-3-ethenyl-1-propan-2-ylpyrazole?
The canonical SMILES for 4-[(E)-2,3-dimethylbut-1-enyl]-3-ethenyl-1-propan-2-ylpyrazole is C=Cc1nn(C(C)C)cc1/C=C(\C)C(C)C.
What is the InChIKey of 4-[(E)-2,3-dimethylbut-1-enyl]-3-ethenyl-1-propan-2-ylpyrazole?
The InChIKey is UKUHEGFAMRFDLH-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H22N2/c1-7-14-13(8-12(6)10(2)3)9-16(15-14)11(4)5/h7-11H,1H2,2-6H3/b12-8+.
What are the key properties of 4-[(E)-2,3-dimethylbut-1-enyl]-3-ethenyl-1-propan-2-ylpyrazole?
4-[(E)-2,3-dimethylbut-1-enyl]-3-ethenyl-1-propan-2-ylpyrazole has a molecular weight of 218.34 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2,3-dimethylbut-1-enyl]-3-ethenyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 177134617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).