4-chloro-1-(oxan-4-yl)pyrazole

C8H11ClN2O — CID 84732827

IUPAC4-chloro-1-(oxan-4-yl)pyrazole
SMILESClc1cnn(C2CCOCC2)c1
InChIInChI=1S/C8H11ClN2O/c9-7-5-10-11(6-7)8-1-3-12-4-2-8/h5-6,8H,1-4H2
InChIKeyONWWQNUKGXUUTH-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.89
Rot. Bonds1

About 4-chloro-1-(oxan-4-yl)pyrazole

4-chloro-1-(oxan-4-yl)pyrazole (PubChem CID 84732827) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 4-chloro-1-(oxan-4-yl)pyrazole.

Molecular Properties

Compound Name4-chloro-1-(oxan-4-yl)pyrazole
PubChem CID84732827
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name4-chloro-1-(oxan-4-yl)pyrazole
SMILESClc1cnn(C2CCOCC2)c1
InChIInChI=1S/C8H11ClN2O/c9-7-5-10-11(6-7)8-1-3-12-4-2-8/h5-6,8H,1-4H2
InChIKeyONWWQNUKGXUUTH-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(4-chlorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
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4-chloro-1-pyrrolidin-3-ylpyrazole
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4-chloro-1-[(2S)-oxan-2-yl]pyrazole
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4-(2-bromoethyl)-1-(oxan-4-yl)pyrazole
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2-[1-(oxan-4-yl)pyrazol-4-yl]ethanamine
CID 63937711
3-chloro-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 166093962
ethane;4-methyl-1-(oxolan-3-yl)pyrazole
CID 143510060
N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide
CID 71810286
1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]butan-2-ol
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[1-(oxan-4-yl)pyrazol-4-yl]thiourea
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(oxan-4-yl)pyrazole?
The IUPAC name of 4-chloro-1-(oxan-4-yl)pyrazole (CID 84732827) is 4-chloro-1-(oxan-4-yl)pyrazole.
What is the SMILES notation for 4-chloro-1-(oxan-4-yl)pyrazole?
The canonical SMILES for 4-chloro-1-(oxan-4-yl)pyrazole is Clc1cnn(C2CCOCC2)c1.
What is the InChIKey of 4-chloro-1-(oxan-4-yl)pyrazole?
The InChIKey is ONWWQNUKGXUUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c9-7-5-10-11(6-7)8-1-3-12-4-2-8/h5-6,8H,1-4H2.
What are the key properties of 4-chloro-1-(oxan-4-yl)pyrazole?
4-chloro-1-(oxan-4-yl)pyrazole has a molecular weight of 186.64 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(oxan-4-yl)pyrazole is sourced from PubChem (CID 84732827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).