1-cyclopropyl-4-(oxan-2-yl)pyrazole

C11H16N2O — CID 157044409

IUPAC1-cyclopropyl-4-(oxan-2-yl)pyrazole
SMILESc1nn(C2CC2)cc1C1CCCCO1
InChIInChI=1S/C11H16N2O/c1-2-6-14-11(3-1)9-7-12-13(8-9)10-4-5-10/h7-8,10-11H,1-6H2
InChIKeyDYEKUMTUBBQKMS-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.46
Rot. Bonds2

About 1-cyclopropyl-4-(oxan-2-yl)pyrazole

1-cyclopropyl-4-(oxan-2-yl)pyrazole (PubChem CID 157044409) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-cyclopropyl-4-(oxan-2-yl)pyrazole.

Molecular Properties

Compound Name1-cyclopropyl-4-(oxan-2-yl)pyrazole
PubChem CID157044409
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-cyclopropyl-4-(oxan-2-yl)pyrazole
SMILESc1nn(C2CC2)cc1C1CCCCO1
InChIInChI=1S/C11H16N2O/c1-2-6-14-11(3-1)9-7-12-13(8-9)10-4-5-10/h7-8,10-11H,1-6H2
InChIKeyDYEKUMTUBBQKMS-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 1-cyclopropyl-4-(oxan-2-yl)pyrazole?
The IUPAC name of 1-cyclopropyl-4-(oxan-2-yl)pyrazole (CID 157044409) is 1-cyclopropyl-4-(oxan-2-yl)pyrazole.
What is the SMILES notation for 1-cyclopropyl-4-(oxan-2-yl)pyrazole?
The canonical SMILES for 1-cyclopropyl-4-(oxan-2-yl)pyrazole is c1nn(C2CC2)cc1C1CCCCO1.
What is the InChIKey of 1-cyclopropyl-4-(oxan-2-yl)pyrazole?
The InChIKey is DYEKUMTUBBQKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-6-14-11(3-1)9-7-12-13(8-9)10-4-5-10/h7-8,10-11H,1-6H2.
What are the key properties of 1-cyclopropyl-4-(oxan-2-yl)pyrazole?
1-cyclopropyl-4-(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 1-cyclopropyl-4-(oxan-2-yl)pyrazole is sourced from PubChem (CID 157044409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).