1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole

C12H15F5N2 — CID 175828652

IUPAC1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole
SMILESCc1nn(CC2CCC(F)(F)CC2)cc1C(F)(F)F
InChIInChI=1S/C12H15F5N2/c1-8-10(12(15,16)17)7-19(18-8)6-9-2-4-11(13,14)5-3-9/h7,9H,2-6H2,1H3
InChIKeyHWUAVEOXHLIKAI-UHFFFAOYSA-N
MW282.26 g/mol
LogP4.04
Rot. Bonds2

About 1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole

1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole (PubChem CID 175828652) has the molecular formula C12H15F5N2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole
PubChem CID175828652
Molecular FormulaC12H15F5N2
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole
SMILESCc1nn(CC2CCC(F)(F)CC2)cc1C(F)(F)F
InChIInChI=1S/C12H15F5N2/c1-8-10(12(15,16)17)7-19(18-8)6-9-2-4-11(13,14)5-3-9/h7,9H,2-6H2,1H3
InChIKeyHWUAVEOXHLIKAI-UHFFFAOYSA-N
XLogP4.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole?
The IUPAC name of 1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole (CID 175828652) is 1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole is Cc1nn(CC2CCC(F)(F)CC2)cc1C(F)(F)F.
What is the InChIKey of 1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole?
The InChIKey is HWUAVEOXHLIKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F5N2/c1-8-10(12(15,16)17)7-19(18-8)6-9-2-4-11(13,14)5-3-9/h7,9H,2-6H2,1H3.
What are the key properties of 1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole?
1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole has a molecular weight of 282.26 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 175828652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).