5-[(1R)-1-ethoxyethyl]-3-(trifluoromethyl)-1H-pyrazole

C8H11F3N2O — CID 124638327

IUPAC5-[(1R)-1-ethoxyethyl]-3-(trifluoromethyl)-1H-pyrazole
SMILESCCO[C@H](C)c1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C8H11F3N2O/c1-3-14-5(2)6-4-7(13-12-6)8(9,10)11/h4-5H,3H2,1-2H3,(H,12,13)/t5-/m1/s1
InChIKeyXARJQPNFDHMAKD-RXMQYKEDSA-N
MW208.18 g/mol
LogP2.53
Rot. Bonds3

About 5-[(1R)-1-ethoxyethyl]-3-(trifluoromethyl)-1H-pyrazole

5-[(1R)-1-ethoxyethyl]-3-(trifluoromethyl)-1H-pyrazole (PubChem CID 124638327) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 5-[(1R)-1-ethoxyethyl]-3-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-[(1R)-1-ethoxyethyl]-3-(trifluoromethyl)-1H-pyrazole
PubChem CID124638327
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name5-[(1R)-1-ethoxyethyl]-3-(trifluoromethyl)-1H-pyrazole
SMILESCCO[C@H](C)c1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C8H11F3N2O/c1-3-14-5(2)6-4-7(13-12-6)8(9,10)11/h4-5H,3H2,1-2H3,(H,12,13)/t5-/m1/s1
InChIKeyXARJQPNFDHMAKD-RXMQYKEDSA-N
XLogP2.53
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(ethoxymethyl)-3-methyl-1H-pyrazole
CID 3146683
3-(methoxymethyl)-5-methyl-1H-pyrazole
CID 12218437
1-(5-methyl-1H-pyrazol-3-yl)ethan-1-ol
CID 89147284
5-(ethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole
CID 71551962
5-(1-ethoxyethyl)-3-(trifluoromethyl)-1H-pyrazole
CID 71551963
5-(diethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole
CID 71551964
3-Trifluoro-methyl-1-ethoxymethylpyrazole
CID 134612665
(1S)-1-[5-(difluoromethyl)-1H-pyrazol-3-yl]ethanol
CID 168328564
2-methyl-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-1-ol
CID 14969646
1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol
CID 11137709
5-(methoxymethyl)-3-(trifluoromethyl)-1H-pyrazole
CID 57840623
5-(difluoromethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole
CID 90981391

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-ethoxyethyl]-3-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 5-[(1R)-1-ethoxyethyl]-3-(trifluoromethyl)-1H-pyrazole (CID 124638327) is 5-[(1R)-1-ethoxyethyl]-3-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-[(1R)-1-ethoxyethyl]-3-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-[(1R)-1-ethoxyethyl]-3-(trifluoromethyl)-1H-pyrazole is CCO[C@H](C)c1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of 5-[(1R)-1-ethoxyethyl]-3-(trifluoromethyl)-1H-pyrazole?
The InChIKey is XARJQPNFDHMAKD-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-3-14-5(2)6-4-7(13-12-6)8(9,10)11/h4-5H,3H2,1-2H3,(H,12,13)/t5-/m1/s1.
What are the key properties of 5-[(1R)-1-ethoxyethyl]-3-(trifluoromethyl)-1H-pyrazole?
5-[(1R)-1-ethoxyethyl]-3-(trifluoromethyl)-1H-pyrazole has a molecular weight of 208.18 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-ethoxyethyl]-3-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 124638327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).