1-tert-butyl-3-ethenylpyrazole

C9H14N2 — CID 59860441

IUPAC1-tert-butyl-3-ethenylpyrazole
SMILESC=Cc1ccn(C(C)(C)C)n1
InChIInChI=1S/C9H14N2/c1-5-8-6-7-11(10-8)9(2,3)4/h5-7H,1H2,2-4H3
InChIKeyYQGJCPVZCRYUGS-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.28
Rot. Bonds1

About 1-tert-butyl-3-ethenylpyrazole

1-tert-butyl-3-ethenylpyrazole (PubChem CID 59860441) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-tert-butyl-3-ethenylpyrazole.

Molecular Properties

Compound Name1-tert-butyl-3-ethenylpyrazole
PubChem CID59860441
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-tert-butyl-3-ethenylpyrazole
SMILESC=Cc1ccn(C(C)(C)C)n1
InChIInChI=1S/C9H14N2/c1-5-8-6-7-11(10-8)9(2,3)4/h5-7H,1H2,2-4H3
InChIKeyYQGJCPVZCRYUGS-UHFFFAOYSA-N
XLogP2.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-ethenylpyrazole?
The IUPAC name of 1-tert-butyl-3-ethenylpyrazole (CID 59860441) is 1-tert-butyl-3-ethenylpyrazole.
What is the SMILES notation for 1-tert-butyl-3-ethenylpyrazole?
The canonical SMILES for 1-tert-butyl-3-ethenylpyrazole is C=Cc1ccn(C(C)(C)C)n1.
What is the InChIKey of 1-tert-butyl-3-ethenylpyrazole?
The InChIKey is YQGJCPVZCRYUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-5-8-6-7-11(10-8)9(2,3)4/h5-7H,1H2,2-4H3.
What are the key properties of 1-tert-butyl-3-ethenylpyrazole?
1-tert-butyl-3-ethenylpyrazole has a molecular weight of 150.22 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-ethenylpyrazole is sourced from PubChem (CID 59860441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).