4-(3-methylbutan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazole

C10H15F3N2 — CID 118301775

IUPAC4-(3-methylbutan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCC(C)C(C)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C10H15F3N2/c1-7(2)8(3)9-4-14-15(5-9)6-10(11,12)13/h4-5,7-8H,6H2,1-3H3
InChIKeySJRLRMGMDIOBHM-UHFFFAOYSA-N
MW220.24 g/mol
LogP3.20
Rot. Bonds3

About 4-(3-methylbutan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazole

4-(3-methylbutan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 118301775) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 4-(3-methylbutan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name4-(3-methylbutan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID118301775
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name4-(3-methylbutan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCC(C)C(C)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C10H15F3N2/c1-7(2)8(3)9-4-14-15(5-9)6-10(11,12)13/h4-5,7-8H,6H2,1-3H3
InChIKeySJRLRMGMDIOBHM-UHFFFAOYSA-N
XLogP3.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 4-(3-methylbutan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazole (CID 118301775) is 4-(3-methylbutan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 4-(3-methylbutan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 4-(3-methylbutan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazole is CC(C)C(C)c1cnn(CC(F)(F)F)c1.
What is the InChIKey of 4-(3-methylbutan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is SJRLRMGMDIOBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-7(2)8(3)9-4-14-15(5-9)6-10(11,12)13/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 4-(3-methylbutan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazole?
4-(3-methylbutan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 220.24 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 118301775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).