1-(4,4-dimethylcyclohexyl)-4-methyl-5-(trifluoromethyl)pyrazole

C13H19F3N2 — CID 144911080

IUPAC1-(4,4-dimethylcyclohexyl)-4-methyl-5-(trifluoromethyl)pyrazole
SMILESCc1cnn(C2CCC(C)(C)CC2)c1C(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-9-8-17-18(11(9)13(14,15)16)10-4-6-12(2,3)7-5-10/h8,10H,4-7H2,1-3H3
InChIKeyZWQIBTHPNHAERE-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.35
Rot. Bonds1

About 1-(4,4-dimethylcyclohexyl)-4-methyl-5-(trifluoromethyl)pyrazole

1-(4,4-dimethylcyclohexyl)-4-methyl-5-(trifluoromethyl)pyrazole (PubChem CID 144911080) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-4-methyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-4-methyl-5-(trifluoromethyl)pyrazole
PubChem CID144911080
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name1-(4,4-dimethylcyclohexyl)-4-methyl-5-(trifluoromethyl)pyrazole
SMILESCc1cnn(C2CCC(C)(C)CC2)c1C(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-9-8-17-18(11(9)13(14,15)16)10-4-6-12(2,3)7-5-10/h8,10H,4-7H2,1-3H3
InChIKeyZWQIBTHPNHAERE-UHFFFAOYSA-N
XLogP4.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-4-methyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-4-methyl-5-(trifluoromethyl)pyrazole (CID 144911080) is 1-(4,4-dimethylcyclohexyl)-4-methyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-4-methyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-4-methyl-5-(trifluoromethyl)pyrazole is Cc1cnn(C2CCC(C)(C)CC2)c1C(F)(F)F.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-4-methyl-5-(trifluoromethyl)pyrazole?
The InChIKey is ZWQIBTHPNHAERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-9-8-17-18(11(9)13(14,15)16)10-4-6-12(2,3)7-5-10/h8,10H,4-7H2,1-3H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-4-methyl-5-(trifluoromethyl)pyrazole?
1-(4,4-dimethylcyclohexyl)-4-methyl-5-(trifluoromethyl)pyrazole has a molecular weight of 260.30 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-4-methyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 144911080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).