5-chloro-1-(3,3-difluorocyclohexyl)pyrazole

C9H11ClF2N2 — CID 84735261

IUPAC5-chloro-1-(3,3-difluorocyclohexyl)pyrazole
SMILESFC1(F)CCCC(n2nccc2Cl)C1
InChIInChI=1S/C9H11ClF2N2/c10-8-3-5-13-14(8)7-2-1-4-9(11,12)6-7/h3,5,7H,1-2,4,6H2
InChIKeyAOXNSYUZGZDSFE-UHFFFAOYSA-N
MW220.65 g/mol
LogP3.29
Rot. Bonds1

About 5-chloro-1-(3,3-difluorocyclohexyl)pyrazole

5-chloro-1-(3,3-difluorocyclohexyl)pyrazole (PubChem CID 84735261) has the molecular formula C9H11ClF2N2 and a molecular weight of 220.65 g/mol. Its IUPAC name is 5-chloro-1-(3,3-difluorocyclohexyl)pyrazole.

Molecular Properties

Compound Name5-chloro-1-(3,3-difluorocyclohexyl)pyrazole
PubChem CID84735261
Molecular FormulaC9H11ClF2N2
Molecular Weight220.65 g/mol
Exact Mass220.06
IUPAC Name5-chloro-1-(3,3-difluorocyclohexyl)pyrazole
SMILESFC1(F)CCCC(n2nccc2Cl)C1
InChIInChI=1S/C9H11ClF2N2/c10-8-3-5-13-14(8)7-2-1-4-9(11,12)6-7/h3,5,7H,1-2,4,6H2
InChIKeyAOXNSYUZGZDSFE-UHFFFAOYSA-N
XLogP3.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.65
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(3,3-difluorocyclohexyl)pyrazole?
The IUPAC name of 5-chloro-1-(3,3-difluorocyclohexyl)pyrazole (CID 84735261) is 5-chloro-1-(3,3-difluorocyclohexyl)pyrazole.
What is the SMILES notation for 5-chloro-1-(3,3-difluorocyclohexyl)pyrazole?
The canonical SMILES for 5-chloro-1-(3,3-difluorocyclohexyl)pyrazole is FC1(F)CCCC(n2nccc2Cl)C1.
What is the InChIKey of 5-chloro-1-(3,3-difluorocyclohexyl)pyrazole?
The InChIKey is AOXNSYUZGZDSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF2N2/c10-8-3-5-13-14(8)7-2-1-4-9(11,12)6-7/h3,5,7H,1-2,4,6H2.
What are the key properties of 5-chloro-1-(3,3-difluorocyclohexyl)pyrazole?
5-chloro-1-(3,3-difluorocyclohexyl)pyrazole has a molecular weight of 220.65 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(3,3-difluorocyclohexyl)pyrazole is sourced from PubChem (CID 84735261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).