1-methyl-4-propan-2-yloxypyrazole

C7H12N2O — CID 58641828

IUPAC1-methyl-4-propan-2-yloxypyrazole
SMILESCC(C)Oc1cnn(C)c1
InChIInChI=1S/C7H12N2O/c1-6(2)10-7-4-8-9(3)5-7/h4-6H,1-3H3
InChIKeyNQLUCQLEWFDDGG-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.21
Rot. Bonds2

About 1-methyl-4-propan-2-yloxypyrazole

1-methyl-4-propan-2-yloxypyrazole (PubChem CID 58641828) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-methyl-4-propan-2-yloxypyrazole.

Molecular Properties

Compound Name1-methyl-4-propan-2-yloxypyrazole
PubChem CID58641828
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-methyl-4-propan-2-yloxypyrazole
SMILESCC(C)Oc1cnn(C)c1
InChIInChI=1S/C7H12N2O/c1-6(2)10-7-4-8-9(3)5-7/h4-6H,1-3H3
InChIKeyNQLUCQLEWFDDGG-UHFFFAOYSA-N
XLogP1.21
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-yloxypyrazole?
The IUPAC name of 1-methyl-4-propan-2-yloxypyrazole (CID 58641828) is 1-methyl-4-propan-2-yloxypyrazole.
What is the SMILES notation for 1-methyl-4-propan-2-yloxypyrazole?
The canonical SMILES for 1-methyl-4-propan-2-yloxypyrazole is CC(C)Oc1cnn(C)c1.
What is the InChIKey of 1-methyl-4-propan-2-yloxypyrazole?
The InChIKey is NQLUCQLEWFDDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6(2)10-7-4-8-9(3)5-7/h4-6H,1-3H3.
What are the key properties of 1-methyl-4-propan-2-yloxypyrazole?
1-methyl-4-propan-2-yloxypyrazole has a molecular weight of 140.19 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-yloxypyrazole is sourced from PubChem (CID 58641828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).