1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxypyrazole

C11H19N3O — CID 176693054

IUPAC1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxypyrazole
SMILESCC(C)N1CCC(Oc2cnn(C)c2)C1
InChIInChI=1S/C11H19N3O/c1-9(2)14-5-4-10(8-14)15-11-6-12-13(3)7-11/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyFHVBXUZCWKUGLR-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.28
Rot. Bonds3

About 1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxypyrazole

1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxypyrazole (PubChem CID 176693054) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxypyrazole.

Molecular Properties

Compound Name1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxypyrazole
PubChem CID176693054
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxypyrazole
SMILESCC(C)N1CCC(Oc2cnn(C)c2)C1
InChIInChI=1S/C11H19N3O/c1-9(2)14-5-4-10(8-14)15-11-6-12-13(3)7-11/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyFHVBXUZCWKUGLR-UHFFFAOYSA-N
XLogP1.28
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxypyrazole?
The IUPAC name of 1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxypyrazole (CID 176693054) is 1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxypyrazole.
What is the SMILES notation for 1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxypyrazole?
The canonical SMILES for 1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxypyrazole is CC(C)N1CCC(Oc2cnn(C)c2)C1.
What is the InChIKey of 1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxypyrazole?
The InChIKey is FHVBXUZCWKUGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(2)14-5-4-10(8-14)15-11-6-12-13(3)7-11/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of 1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxypyrazole?
1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxypyrazole has a molecular weight of 209.29 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxypyrazole is sourced from PubChem (CID 176693054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).