5-methyl-5-(trifluoromethyl)-1,4-dihydropyrazole

C5H7F3N2 — CID 24972981

IUPAC5-methyl-5-(trifluoromethyl)-1,4-dihydropyrazole
SMILESCC1(C(F)(F)F)CC=NN1
InChIInChI=1S/C5H7F3N2/c1-4(5(6,7)8)2-3-9-10-4/h3,10H,2H2,1H3
InChIKeyHPZKWPCYUMTCSP-UHFFFAOYSA-N
MW152.12 g/mol
LogP1.29
Rot. Bonds

About 5-methyl-5-(trifluoromethyl)-1,4-dihydropyrazole

5-methyl-5-(trifluoromethyl)-1,4-dihydropyrazole (PubChem CID 24972981) has the molecular formula C5H7F3N2 and a molecular weight of 152.12 g/mol. Its IUPAC name is 5-methyl-5-(trifluoromethyl)-1,4-dihydropyrazole.

Molecular Properties

Compound Name5-methyl-5-(trifluoromethyl)-1,4-dihydropyrazole
PubChem CID24972981
Molecular FormulaC5H7F3N2
Molecular Weight152.12 g/mol
Exact Mass152.06
IUPAC Name5-methyl-5-(trifluoromethyl)-1,4-dihydropyrazole
SMILESCC1(C(F)(F)F)CC=NN1
InChIInChI=1S/C5H7F3N2/c1-4(5(6,7)8)2-3-9-10-4/h3,10H,2H2,1H3
InChIKeyHPZKWPCYUMTCSP-UHFFFAOYSA-N
XLogP1.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(trifluoromethyl)-1,4-dihydropyrazole?
The IUPAC name of 5-methyl-5-(trifluoromethyl)-1,4-dihydropyrazole (CID 24972981) is 5-methyl-5-(trifluoromethyl)-1,4-dihydropyrazole.
What is the SMILES notation for 5-methyl-5-(trifluoromethyl)-1,4-dihydropyrazole?
The canonical SMILES for 5-methyl-5-(trifluoromethyl)-1,4-dihydropyrazole is CC1(C(F)(F)F)CC=NN1.
What is the InChIKey of 5-methyl-5-(trifluoromethyl)-1,4-dihydropyrazole?
The InChIKey is HPZKWPCYUMTCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2/c1-4(5(6,7)8)2-3-9-10-4/h3,10H,2H2,1H3.
What are the key properties of 5-methyl-5-(trifluoromethyl)-1,4-dihydropyrazole?
5-methyl-5-(trifluoromethyl)-1,4-dihydropyrazole has a molecular weight of 152.12 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(trifluoromethyl)-1,4-dihydropyrazole is sourced from PubChem (CID 24972981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).