4-(2,2-dimethylpropoxy)-1H-pyrazole

C8H14N2O — CID 59093252

IUPAC4-(2,2-dimethylpropoxy)-1H-pyrazole
SMILESCC(C)(C)COc1cn[nH]c1
InChIInChI=1S/C8H14N2O/c1-8(2,3)6-11-7-4-9-10-5-7/h4-5H,6H2,1-3H3,(H,9,10)
InChIKeyWMLRPTZTTQUKIP-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.83
Rot. Bonds2

About 4-(2,2-dimethylpropoxy)-1H-pyrazole

4-(2,2-dimethylpropoxy)-1H-pyrazole (PubChem CID 59093252) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-(2,2-dimethylpropoxy)-1H-pyrazole.

Molecular Properties

Compound Name4-(2,2-dimethylpropoxy)-1H-pyrazole
PubChem CID59093252
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name4-(2,2-dimethylpropoxy)-1H-pyrazole
SMILESCC(C)(C)COc1cn[nH]c1
InChIInChI=1S/C8H14N2O/c1-8(2,3)6-11-7-4-9-10-5-7/h4-5H,6H2,1-3H3,(H,9,10)
InChIKeyWMLRPTZTTQUKIP-UHFFFAOYSA-N
XLogP1.83
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropoxy)-1H-pyrazole?
The IUPAC name of 4-(2,2-dimethylpropoxy)-1H-pyrazole (CID 59093252) is 4-(2,2-dimethylpropoxy)-1H-pyrazole.
What is the SMILES notation for 4-(2,2-dimethylpropoxy)-1H-pyrazole?
The canonical SMILES for 4-(2,2-dimethylpropoxy)-1H-pyrazole is CC(C)(C)COc1cn[nH]c1.
What is the InChIKey of 4-(2,2-dimethylpropoxy)-1H-pyrazole?
The InChIKey is WMLRPTZTTQUKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-8(2,3)6-11-7-4-9-10-5-7/h4-5H,6H2,1-3H3,(H,9,10).
What are the key properties of 4-(2,2-dimethylpropoxy)-1H-pyrazole?
4-(2,2-dimethylpropoxy)-1H-pyrazole has a molecular weight of 154.21 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropoxy)-1H-pyrazole is sourced from PubChem (CID 59093252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).