5-chloro-4-(2,2-dimethylpropyl)-1-methyl-3-(trifluoromethyl)pyrazole

C10H14ClF3N2 — CID 59744009

IUPAC5-chloro-4-(2,2-dimethylpropyl)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)c(CC(C)(C)C)c1Cl
InChIInChI=1S/C10H14ClF3N2/c1-9(2,3)5-6-7(10(12,13)14)15-16(4)8(6)11/h5H2,1-4H3
InChIKeyRKDWNYCBARELJE-UHFFFAOYSA-N
MW254.68 g/mol
LogP3.68
Rot. Bonds1

About 5-chloro-4-(2,2-dimethylpropyl)-1-methyl-3-(trifluoromethyl)pyrazole

5-chloro-4-(2,2-dimethylpropyl)-1-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 59744009) has the molecular formula C10H14ClF3N2 and a molecular weight of 254.68 g/mol. Its IUPAC name is 5-chloro-4-(2,2-dimethylpropyl)-1-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-chloro-4-(2,2-dimethylpropyl)-1-methyl-3-(trifluoromethyl)pyrazole
PubChem CID59744009
Molecular FormulaC10H14ClF3N2
Molecular Weight254.68 g/mol
Exact Mass254.08
IUPAC Name5-chloro-4-(2,2-dimethylpropyl)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)c(CC(C)(C)C)c1Cl
InChIInChI=1S/C10H14ClF3N2/c1-9(2,3)5-6-7(10(12,13)14)15-16(4)8(6)11/h5H2,1-4H3
InChIKeyRKDWNYCBARELJE-UHFFFAOYSA-N
XLogP3.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2,2-dimethylpropyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-chloro-4-(2,2-dimethylpropyl)-1-methyl-3-(trifluoromethyl)pyrazole (CID 59744009) is 5-chloro-4-(2,2-dimethylpropyl)-1-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-chloro-4-(2,2-dimethylpropyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-chloro-4-(2,2-dimethylpropyl)-1-methyl-3-(trifluoromethyl)pyrazole is Cn1nc(C(F)(F)F)c(CC(C)(C)C)c1Cl.
What is the InChIKey of 5-chloro-4-(2,2-dimethylpropyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is RKDWNYCBARELJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClF3N2/c1-9(2,3)5-6-7(10(12,13)14)15-16(4)8(6)11/h5H2,1-4H3.
What are the key properties of 5-chloro-4-(2,2-dimethylpropyl)-1-methyl-3-(trifluoromethyl)pyrazole?
5-chloro-4-(2,2-dimethylpropyl)-1-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 254.68 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2,2-dimethylpropyl)-1-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 59744009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).