2-methyl-3-propan-2-yl-5-(trifluoromethyl)-1,5-dihydropyrazole

C8H13F3N2 — CID 162618946

IUPAC2-methyl-3-propan-2-yl-5-(trifluoromethyl)-1,5-dihydropyrazole
SMILESCC(C)C1=CC(C(F)(F)F)NN1C
InChIInChI=1S/C8H13F3N2/c1-5(2)6-4-7(8(9,10)11)12-13(6)3/h4-5,7,12H,1-3H3
InChIKeyWEDNDBBHEMKVAM-UHFFFAOYSA-N
MW194.20 g/mol
LogP1.91
Rot. Bonds1

About 2-methyl-3-propan-2-yl-5-(trifluoromethyl)-1,5-dihydropyrazole

2-methyl-3-propan-2-yl-5-(trifluoromethyl)-1,5-dihydropyrazole (PubChem CID 162618946) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 2-methyl-3-propan-2-yl-5-(trifluoromethyl)-1,5-dihydropyrazole.

Molecular Properties

Compound Name2-methyl-3-propan-2-yl-5-(trifluoromethyl)-1,5-dihydropyrazole
PubChem CID162618946
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name2-methyl-3-propan-2-yl-5-(trifluoromethyl)-1,5-dihydropyrazole
SMILESCC(C)C1=CC(C(F)(F)F)NN1C
InChIInChI=1S/C8H13F3N2/c1-5(2)6-4-7(8(9,10)11)12-13(6)3/h4-5,7,12H,1-3H3
InChIKeyWEDNDBBHEMKVAM-UHFFFAOYSA-N
XLogP1.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-yl-5-(trifluoromethyl)-1,5-dihydropyrazole?
The IUPAC name of 2-methyl-3-propan-2-yl-5-(trifluoromethyl)-1,5-dihydropyrazole (CID 162618946) is 2-methyl-3-propan-2-yl-5-(trifluoromethyl)-1,5-dihydropyrazole.
What is the SMILES notation for 2-methyl-3-propan-2-yl-5-(trifluoromethyl)-1,5-dihydropyrazole?
The canonical SMILES for 2-methyl-3-propan-2-yl-5-(trifluoromethyl)-1,5-dihydropyrazole is CC(C)C1=CC(C(F)(F)F)NN1C.
What is the InChIKey of 2-methyl-3-propan-2-yl-5-(trifluoromethyl)-1,5-dihydropyrazole?
The InChIKey is WEDNDBBHEMKVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2/c1-5(2)6-4-7(8(9,10)11)12-13(6)3/h4-5,7,12H,1-3H3.
What are the key properties of 2-methyl-3-propan-2-yl-5-(trifluoromethyl)-1,5-dihydropyrazole?
2-methyl-3-propan-2-yl-5-(trifluoromethyl)-1,5-dihydropyrazole has a molecular weight of 194.20 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-yl-5-(trifluoromethyl)-1,5-dihydropyrazole is sourced from PubChem (CID 162618946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).