1-chloro-5-(oxan-3-yl)pyrazole

C8H11ClN2O — CID 175561958

IUPAC1-chloro-5-(oxan-3-yl)pyrazole
SMILESCln1nccc1C1CCCOC1
InChIInChI=1S/C8H11ClN2O/c9-11-8(3-4-10-11)7-2-1-5-12-6-7/h3-4,7H,1-2,5-6H2
InChIKeyQOTVNDFLVXYHFQ-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.78
Rot. Bonds1

About 1-chloro-5-(oxan-3-yl)pyrazole

1-chloro-5-(oxan-3-yl)pyrazole (PubChem CID 175561958) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 1-chloro-5-(oxan-3-yl)pyrazole.

Molecular Properties

Compound Name1-chloro-5-(oxan-3-yl)pyrazole
PubChem CID175561958
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name1-chloro-5-(oxan-3-yl)pyrazole
SMILESCln1nccc1C1CCCOC1
InChIInChI=1S/C8H11ClN2O/c9-11-8(3-4-10-11)7-2-1-5-12-6-7/h3-4,7H,1-2,5-6H2
InChIKeyQOTVNDFLVXYHFQ-UHFFFAOYSA-N
XLogP1.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-(oxan-3-yl)pyrazole?
The IUPAC name of 1-chloro-5-(oxan-3-yl)pyrazole (CID 175561958) is 1-chloro-5-(oxan-3-yl)pyrazole.
What is the SMILES notation for 1-chloro-5-(oxan-3-yl)pyrazole?
The canonical SMILES for 1-chloro-5-(oxan-3-yl)pyrazole is Cln1nccc1C1CCCOC1.
What is the InChIKey of 1-chloro-5-(oxan-3-yl)pyrazole?
The InChIKey is QOTVNDFLVXYHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c9-11-8(3-4-10-11)7-2-1-5-12-6-7/h3-4,7H,1-2,5-6H2.
What are the key properties of 1-chloro-5-(oxan-3-yl)pyrazole?
1-chloro-5-(oxan-3-yl)pyrazole has a molecular weight of 186.64 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-(oxan-3-yl)pyrazole is sourced from PubChem (CID 175561958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).