1-tert-butyl-3-methoxypyrazole

C8H14N2O — CID 130223595

IUPAC1-tert-butyl-3-methoxypyrazole
SMILESCOc1ccn(C(C)(C)C)n1
InChIInChI=1S/C8H14N2O/c1-8(2,3)10-6-5-7(9-10)11-4/h5-6H,1-4H3
InChIKeyUGTFZUIZSUYCEW-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.65
Rot. Bonds1

About 1-tert-butyl-3-methoxypyrazole

1-tert-butyl-3-methoxypyrazole (PubChem CID 130223595) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-tert-butyl-3-methoxypyrazole.

Molecular Properties

Compound Name1-tert-butyl-3-methoxypyrazole
PubChem CID130223595
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-tert-butyl-3-methoxypyrazole
SMILESCOc1ccn(C(C)(C)C)n1
InChIInChI=1S/C8H14N2O/c1-8(2,3)10-6-5-7(9-10)11-4/h5-6H,1-4H3
InChIKeyUGTFZUIZSUYCEW-UHFFFAOYSA-N
XLogP1.65
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methoxypyrazole?
The IUPAC name of 1-tert-butyl-3-methoxypyrazole (CID 130223595) is 1-tert-butyl-3-methoxypyrazole.
What is the SMILES notation for 1-tert-butyl-3-methoxypyrazole?
The canonical SMILES for 1-tert-butyl-3-methoxypyrazole is COc1ccn(C(C)(C)C)n1.
What is the InChIKey of 1-tert-butyl-3-methoxypyrazole?
The InChIKey is UGTFZUIZSUYCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-8(2,3)10-6-5-7(9-10)11-4/h5-6H,1-4H3.
What are the key properties of 1-tert-butyl-3-methoxypyrazole?
1-tert-butyl-3-methoxypyrazole has a molecular weight of 154.21 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methoxypyrazole is sourced from PubChem (CID 130223595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).