propane;4-(trifluoromethyl)-1H-pyrazole

C7H11F3N2 — CID 145003355

IUPACpropane;4-(trifluoromethyl)-1H-pyrazole
SMILESCCC.FC(F)(F)c1cn[nH]c1
InChIInChI=1S/C4H3F3N2.C3H8/c5-4(6,7)3-1-8-9-2-3;1-3-2/h1-2H,(H,8,9);3H2,1-2H3
InChIKeySVIREAKGGJDGIZ-UHFFFAOYSA-N
MW180.17 g/mol
LogP2.84
Rot. Bonds

About propane;4-(trifluoromethyl)-1H-pyrazole

propane;4-(trifluoromethyl)-1H-pyrazole (PubChem CID 145003355) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is propane;4-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Namepropane;4-(trifluoromethyl)-1H-pyrazole
PubChem CID145003355
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Namepropane;4-(trifluoromethyl)-1H-pyrazole
SMILESCCC.FC(F)(F)c1cn[nH]c1
InChIInChI=1S/C4H3F3N2.C3H8/c5-4(6,7)3-1-8-9-2-3;1-3-2/h1-2H,(H,8,9);3H2,1-2H3
InChIKeySVIREAKGGJDGIZ-UHFFFAOYSA-N
XLogP2.84
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Methylpyrazole
CID 3406
4-Methylpyrazole hydrochloride
CID 11957593
4-fluoro-1H-pyrazole
CID 141992
1H-Pyrazole-4-carbonitrile
CID 564449
4-Ethynyl-1H-pyrazole
CID 14041597
1H-pyrazol-4-ylmethanamine
CID 23005583
Fomepizole sulfate
CID 10176373
4-(Trifluoromethyl)-1H-pyrazole
CID 12777795
4-Ethyl-1H-pyrazole
CID 12933274
(1H-pyrazol-4-yl)methanamine dihydrochloride
CID 43810558
methyl(1H-pyrazol-4-ylmethyl)amine dihydrochloride
CID 54593142
3-iodo-4-methyl-1H-pyrazole
CID 67184620

Frequently Asked Questions

What is the IUPAC name of propane;4-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of propane;4-(trifluoromethyl)-1H-pyrazole (CID 145003355) is propane;4-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for propane;4-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for propane;4-(trifluoromethyl)-1H-pyrazole is CCC.FC(F)(F)c1cn[nH]c1.
What is the InChIKey of propane;4-(trifluoromethyl)-1H-pyrazole?
The InChIKey is SVIREAKGGJDGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2.C3H8/c5-4(6,7)3-1-8-9-2-3;1-3-2/h1-2H,(H,8,9);3H2,1-2H3.
What are the key properties of propane;4-(trifluoromethyl)-1H-pyrazole?
propane;4-(trifluoromethyl)-1H-pyrazole has a molecular weight of 180.17 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propane;4-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 145003355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).