5-(difluoromethyl)-3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazole

C13H20F2N2 — CID 121285980

IUPAC5-(difluoromethyl)-3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazole
SMILESCc1cc(C(F)F)n(CC2CCC(C)CC2)n1
InChIInChI=1S/C13H20F2N2/c1-9-3-5-11(6-4-9)8-17-12(13(14)15)7-10(2)16-17/h7,9,11,13H,3-6,8H2,1-2H3
InChIKeyBYTCIXMIWIERCQ-UHFFFAOYSA-N
MW242.31 g/mol
LogP3.96
Rot. Bonds3

About 5-(difluoromethyl)-3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazole

5-(difluoromethyl)-3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazole (PubChem CID 121285980) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazole.

Molecular Properties

Compound Name5-(difluoromethyl)-3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazole
PubChem CID121285980
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC Name5-(difluoromethyl)-3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazole
SMILESCc1cc(C(F)F)n(CC2CCC(C)CC2)n1
InChIInChI=1S/C13H20F2N2/c1-9-3-5-11(6-4-9)8-17-12(13(14)15)7-10(2)16-17/h7,9,11,13H,3-6,8H2,1-2H3
InChIKeyBYTCIXMIWIERCQ-UHFFFAOYSA-N
XLogP3.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazole?
The IUPAC name of 5-(difluoromethyl)-3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazole (CID 121285980) is 5-(difluoromethyl)-3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazole.
What is the SMILES notation for 5-(difluoromethyl)-3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazole?
The canonical SMILES for 5-(difluoromethyl)-3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazole is Cc1cc(C(F)F)n(CC2CCC(C)CC2)n1.
What is the InChIKey of 5-(difluoromethyl)-3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazole?
The InChIKey is BYTCIXMIWIERCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-9-3-5-11(6-4-9)8-17-12(13(14)15)7-10(2)16-17/h7,9,11,13H,3-6,8H2,1-2H3.
What are the key properties of 5-(difluoromethyl)-3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazole?
5-(difluoromethyl)-3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazole has a molecular weight of 242.31 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazole is sourced from PubChem (CID 121285980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).