5-(methoxymethyl)-3-propan-2-yl-1H-pyrazole

C8H14N2O — CID 45095933

IUPAC5-(methoxymethyl)-3-propan-2-yl-1H-pyrazole
SMILESCOCc1cc(C(C)C)n[nH]1
InChIInChI=1S/C8H14N2O/c1-6(2)8-4-7(5-11-3)9-10-8/h4,6H,5H2,1-3H3,(H,9,10)
InChIKeyLWFMOLSPXWXQGS-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.68
Rot. Bonds3

About 5-(methoxymethyl)-3-propan-2-yl-1H-pyrazole

5-(methoxymethyl)-3-propan-2-yl-1H-pyrazole (PubChem CID 45095933) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound Name5-(methoxymethyl)-3-propan-2-yl-1H-pyrazole
PubChem CID45095933
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name5-(methoxymethyl)-3-propan-2-yl-1H-pyrazole
SMILESCOCc1cc(C(C)C)n[nH]1
InChIInChI=1S/C8H14N2O/c1-6(2)8-4-7(5-11-3)9-10-8/h4,6H,5H2,1-3H3,(H,9,10)
InChIKeyLWFMOLSPXWXQGS-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3-propan-2-yl-1H-pyrazole?
The IUPAC name of 5-(methoxymethyl)-3-propan-2-yl-1H-pyrazole (CID 45095933) is 5-(methoxymethyl)-3-propan-2-yl-1H-pyrazole.
What is the SMILES notation for 5-(methoxymethyl)-3-propan-2-yl-1H-pyrazole?
The canonical SMILES for 5-(methoxymethyl)-3-propan-2-yl-1H-pyrazole is COCc1cc(C(C)C)n[nH]1.
What is the InChIKey of 5-(methoxymethyl)-3-propan-2-yl-1H-pyrazole?
The InChIKey is LWFMOLSPXWXQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(2)8-4-7(5-11-3)9-10-8/h4,6H,5H2,1-3H3,(H,9,10).
What are the key properties of 5-(methoxymethyl)-3-propan-2-yl-1H-pyrazole?
5-(methoxymethyl)-3-propan-2-yl-1H-pyrazole has a molecular weight of 154.21 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 45095933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).