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

C7H8F2N2O2 — CID 174321909

IUPAC2-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethyl formate
SMILESO=COCCc1cn[nH]c1C(F)F
InChIInChI=1S/C7H8F2N2O2/c8-7(9)6-5(3-10-11-6)1-2-13-4-12/h3-4,7H,1-2H2,(H,10,11)
InChIKeyJKHUUYIUUTYTMS-UHFFFAOYSA-N
MW190.15 g/mol
LogP1.06
Rot. Bonds5

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

2-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethyl formate (PubChem CID 174321909) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethyl formate.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethyl formate
PubChem CID174321909
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name2-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethyl formate
SMILESO=COCCc1cn[nH]c1C(F)F
InChIInChI=1S/C7H8F2N2O2/c8-7(9)6-5(3-10-11-6)1-2-13-4-12/h3-4,7H,1-2H2,(H,10,11)
InChIKeyJKHUUYIUUTYTMS-UHFFFAOYSA-N
XLogP1.06
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 51.06
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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Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethyl formate?
The IUPAC name of 2-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethyl formate (CID 174321909) is 2-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethyl formate.
What is the SMILES notation for 2-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethyl formate?
The canonical SMILES for 2-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethyl formate is O=COCCc1cn[nH]c1C(F)F.
What is the InChIKey of 2-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethyl formate?
The InChIKey is JKHUUYIUUTYTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c8-7(9)6-5(3-10-11-6)1-2-13-4-12/h3-4,7H,1-2H2,(H,10,11).
What are the key properties of 2-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethyl formate?
2-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethyl formate has a molecular weight of 190.15 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethyl formate is sourced from PubChem (CID 174321909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).