5-(1-methoxy-2-methylpropan-2-yl)-1H-pyrazole

C8H14N2O — CID 91529023

IUPAC5-(1-methoxy-2-methylpropan-2-yl)-1H-pyrazole
SMILESCOCC(C)(C)c1ccn[nH]1
InChIInChI=1S/C8H14N2O/c1-8(2,6-11-3)7-4-5-9-10-7/h4-5H,6H2,1-3H3,(H,9,10)
InChIKeyCZFNEZZKZWYJOT-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.33
Rot. Bonds3

About 5-(1-methoxy-2-methylpropan-2-yl)-1H-pyrazole

5-(1-methoxy-2-methylpropan-2-yl)-1H-pyrazole (PubChem CID 91529023) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-(1-methoxy-2-methylpropan-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(1-methoxy-2-methylpropan-2-yl)-1H-pyrazole
PubChem CID91529023
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name5-(1-methoxy-2-methylpropan-2-yl)-1H-pyrazole
SMILESCOCC(C)(C)c1ccn[nH]1
InChIInChI=1S/C8H14N2O/c1-8(2,6-11-3)7-4-5-9-10-7/h4-5H,6H2,1-3H3,(H,9,10)
InChIKeyCZFNEZZKZWYJOT-UHFFFAOYSA-N
XLogP1.33
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxy-2-methylpropan-2-yl)-1H-pyrazole?
The IUPAC name of 5-(1-methoxy-2-methylpropan-2-yl)-1H-pyrazole (CID 91529023) is 5-(1-methoxy-2-methylpropan-2-yl)-1H-pyrazole.
What is the SMILES notation for 5-(1-methoxy-2-methylpropan-2-yl)-1H-pyrazole?
The canonical SMILES for 5-(1-methoxy-2-methylpropan-2-yl)-1H-pyrazole is COCC(C)(C)c1ccn[nH]1.
What is the InChIKey of 5-(1-methoxy-2-methylpropan-2-yl)-1H-pyrazole?
The InChIKey is CZFNEZZKZWYJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-8(2,6-11-3)7-4-5-9-10-7/h4-5H,6H2,1-3H3,(H,9,10).
What are the key properties of 5-(1-methoxy-2-methylpropan-2-yl)-1H-pyrazole?
5-(1-methoxy-2-methylpropan-2-yl)-1H-pyrazole has a molecular weight of 154.21 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxy-2-methylpropan-2-yl)-1H-pyrazole is sourced from PubChem (CID 91529023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).