2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl formate

C7H7F3N2O2 — CID 174481714

IUPAC2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl formate
SMILESO=COCCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)6-5(3-11-12-6)1-2-14-4-13/h3-4H,1-2H2,(H,11,12)
InChIKeyBTRFBZWHLUSBGW-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.14
Rot. Bonds4

About 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl formate

2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl formate (PubChem CID 174481714) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl formate.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl formate
PubChem CID174481714
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl formate
SMILESO=COCCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)6-5(3-11-12-6)1-2-14-4-13/h3-4H,1-2H2,(H,11,12)
InChIKeyBTRFBZWHLUSBGW-UHFFFAOYSA-N
XLogP1.14
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-(3-(trifluoromethyl)-1H-pyrazol-4-yl)acetate
CID 118344738
2-[3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol
CID 10678923
2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl 2,2-dimethylpropanoate
CID 53530349
2-(3-(trifluoromethyl)-1H-pyrazol-4-yl)acetic acid
CID 55267971
methyl 2-(3-(trifluoromethyl)-1H-pyrazol-4-yl)acetate
CID 91459868
4-[(2S)-2-iodo-2-methoxyethyl]-5-(trifluoromethyl)-1H-pyrazole
CID 137378253
4-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazole
CID 162572387
2-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethyl formate
CID 174321909
1-[4-(trifluoromethyl)-1H-pyrazol-5-yl]propan-2-yl formate
CID 174523554
1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-yl formate
CID 174537215
2-[5-(difluoromethyl)-1H-pyrazol-4-yl]acetic acid
CID 174599439
[3-methyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]butan-2-yl] formate
CID 174614639

Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl formate?
The IUPAC name of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl formate (CID 174481714) is 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl formate.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl formate?
The canonical SMILES for 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl formate is O=COCCc1cn[nH]c1C(F)(F)F.
What is the InChIKey of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl formate?
The InChIKey is BTRFBZWHLUSBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c8-7(9,10)6-5(3-11-12-6)1-2-14-4-13/h3-4H,1-2H2,(H,11,12).
What are the key properties of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl formate?
2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl formate has a molecular weight of 208.14 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl formate is sourced from PubChem (CID 174481714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).