2-methyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyrazole

C8H13F3N2 — CID 130245004

IUPAC2-methyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyrazole
SMILESCC(C)C1CC(C(F)(F)F)=NN1C
InChIInChI=1S/C8H13F3N2/c1-5(2)6-4-7(8(9,10)11)12-13(6)3/h5-6H,4H2,1-3H3
InChIKeyRYPIYBCJTJQIQY-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.26
Rot. Bonds1

About 2-methyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyrazole

2-methyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyrazole (PubChem CID 130245004) 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)-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-methyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyrazole
PubChem CID130245004
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name2-methyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyrazole
SMILESCC(C)C1CC(C(F)(F)F)=NN1C
InChIInChI=1S/C8H13F3N2/c1-5(2)6-4-7(8(9,10)11)12-13(6)3/h5-6H,4H2,1-3H3
InChIKeyRYPIYBCJTJQIQY-UHFFFAOYSA-N
XLogP2.26
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.26
H-Bond Donors ≤ 50
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)-3,4-dihydropyrazole?
The IUPAC name of 2-methyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyrazole (CID 130245004) is 2-methyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyrazole.
What is the SMILES notation for 2-methyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyrazole?
The canonical SMILES for 2-methyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyrazole is CC(C)C1CC(C(F)(F)F)=NN1C.
What is the InChIKey of 2-methyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyrazole?
The InChIKey is RYPIYBCJTJQIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2/c1-5(2)6-4-7(8(9,10)11)12-13(6)3/h5-6H,4H2,1-3H3.
What are the key properties of 2-methyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyrazole?
2-methyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-dihydropyrazole has a molecular weight of 194.20 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 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)-3,4-dihydropyrazole is sourced from PubChem (CID 130245004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).