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

C8H10F2N2O2 — CID 165138682

IUPACmethyl 2-[4-(difluoromethyl)-1-methylpyrazol-5-yl]acetate
SMILESCOC(=O)Cc1c(C(F)F)cnn1C
InChIInChI=1S/C8H10F2N2O2/c1-12-6(3-7(13)14-2)5(4-11-12)8(9)10/h4,8H,3H2,1-2H3
InChIKeyFAXAHNLHXNHJBX-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.07
Rot. Bonds3

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

methyl 2-[4-(difluoromethyl)-1-methylpyrazol-5-yl]acetate (PubChem CID 165138682) has the molecular formula C8H10F2N2O2 and a molecular weight of 204.18 g/mol. Its IUPAC name is methyl 2-[4-(difluoromethyl)-1-methylpyrazol-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(difluoromethyl)-1-methylpyrazol-5-yl]acetate
PubChem CID165138682
Molecular FormulaC8H10F2N2O2
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Namemethyl 2-[4-(difluoromethyl)-1-methylpyrazol-5-yl]acetate
SMILESCOC(=O)Cc1c(C(F)F)cnn1C
InChIInChI=1S/C8H10F2N2O2/c1-12-6(3-7(13)14-2)5(4-11-12)8(9)10/h4,8H,3H2,1-2H3
InChIKeyFAXAHNLHXNHJBX-UHFFFAOYSA-N
XLogP1.07
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(difluoromethyl)-1-methylpyrazol-5-yl]acetate?
The IUPAC name of methyl 2-[4-(difluoromethyl)-1-methylpyrazol-5-yl]acetate (CID 165138682) is methyl 2-[4-(difluoromethyl)-1-methylpyrazol-5-yl]acetate.
What is the SMILES notation for methyl 2-[4-(difluoromethyl)-1-methylpyrazol-5-yl]acetate?
The canonical SMILES for methyl 2-[4-(difluoromethyl)-1-methylpyrazol-5-yl]acetate is COC(=O)Cc1c(C(F)F)cnn1C.
What is the InChIKey of methyl 2-[4-(difluoromethyl)-1-methylpyrazol-5-yl]acetate?
The InChIKey is FAXAHNLHXNHJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2/c1-12-6(3-7(13)14-2)5(4-11-12)8(9)10/h4,8H,3H2,1-2H3.
What are the key properties of methyl 2-[4-(difluoromethyl)-1-methylpyrazol-5-yl]acetate?
methyl 2-[4-(difluoromethyl)-1-methylpyrazol-5-yl]acetate has a molecular weight of 204.18 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(difluoromethyl)-1-methylpyrazol-5-yl]acetate is sourced from PubChem (CID 165138682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).