3-cyclopropyl-1-(oxan-2-yl)pyrazole

C11H16N2O — CID 122163236

IUPAC3-cyclopropyl-1-(oxan-2-yl)pyrazole
SMILESc1cn(C2CCCCO2)nc1C1CC1
InChIInChI=1S/C11H16N2O/c1-2-8-14-11(3-1)13-7-6-10(12-13)9-4-5-9/h6-7,9,11H,1-5,8H2
InChIKeySLQIMDYDWSXEDJ-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.46
Rot. Bonds2

About 3-cyclopropyl-1-(oxan-2-yl)pyrazole

3-cyclopropyl-1-(oxan-2-yl)pyrazole (PubChem CID 122163236) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-cyclopropyl-1-(oxan-2-yl)pyrazole.

Molecular Properties

Compound Name3-cyclopropyl-1-(oxan-2-yl)pyrazole
PubChem CID122163236
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-cyclopropyl-1-(oxan-2-yl)pyrazole
SMILESc1cn(C2CCCCO2)nc1C1CC1
InChIInChI=1S/C11H16N2O/c1-2-8-14-11(3-1)13-7-6-10(12-13)9-4-5-9/h6-7,9,11H,1-5,8H2
InChIKeySLQIMDYDWSXEDJ-UHFFFAOYSA-N
XLogP2.46
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(oxan-2-yl)pyrazole?
The IUPAC name of 3-cyclopropyl-1-(oxan-2-yl)pyrazole (CID 122163236) is 3-cyclopropyl-1-(oxan-2-yl)pyrazole.
What is the SMILES notation for 3-cyclopropyl-1-(oxan-2-yl)pyrazole?
The canonical SMILES for 3-cyclopropyl-1-(oxan-2-yl)pyrazole is c1cn(C2CCCCO2)nc1C1CC1.
What is the InChIKey of 3-cyclopropyl-1-(oxan-2-yl)pyrazole?
The InChIKey is SLQIMDYDWSXEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-8-14-11(3-1)13-7-6-10(12-13)9-4-5-9/h6-7,9,11H,1-5,8H2.
What are the key properties of 3-cyclopropyl-1-(oxan-2-yl)pyrazole?
3-cyclopropyl-1-(oxan-2-yl)pyrazole has a molecular weight of 192.26 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(oxan-2-yl)pyrazole is sourced from PubChem (CID 122163236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).