methyl 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetate

C7H8F2N2O2 — CID 165138757

IUPACmethyl 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetate
SMILESCOC(=O)Cc1[nH]ncc1C(F)F
InChIInChI=1S/C7H8F2N2O2/c1-13-6(12)2-5-4(7(8)9)3-10-11-5/h3,7H,2H2,1H3,(H,10,11)
InChIKeyFHHHFPYFMLYXKT-UHFFFAOYSA-N
MW190.15 g/mol
LogP1.06
Rot. Bonds3

About methyl 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetate

methyl 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetate (PubChem CID 165138757) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is methyl 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetate
PubChem CID165138757
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Namemethyl 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetate
SMILESCOC(=O)Cc1[nH]ncc1C(F)F
InChIInChI=1S/C7H8F2N2O2/c1-13-6(12)2-5-4(7(8)9)3-10-11-5/h3,7H,2H2,1H3,(H,10,11)
InChIKeyFHHHFPYFMLYXKT-UHFFFAOYSA-N
XLogP1.06
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetate?
The IUPAC name of methyl 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetate (CID 165138757) is methyl 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetate.
What is the SMILES notation for methyl 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetate?
The canonical SMILES for methyl 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetate is COC(=O)Cc1[nH]ncc1C(F)F.
What is the InChIKey of methyl 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetate?
The InChIKey is FHHHFPYFMLYXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c1-13-6(12)2-5-4(7(8)9)3-10-11-5/h3,7H,2H2,1H3,(H,10,11).
What are the key properties of methyl 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetate?
methyl 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetate has a molecular weight of 190.15 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]acetate is sourced from PubChem (CID 165138757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).