2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid

C8H9F3N2O3 — CID 71186688

IUPAC2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
SMILESCOCc1cc(C(F)(F)F)nn1CC(=O)O
InChIInChI=1S/C8H9F3N2O3/c1-16-4-5-2-6(8(9,10)11)12-13(5)3-7(14)15/h2H,3-4H2,1H3,(H,14,15)
InChIKeyGJUKBELIQQNZQJ-UHFFFAOYSA-N
MW238.16 g/mol
LogP1.13
Rot. Bonds4

About 2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid

2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid (PubChem CID 71186688) has the molecular formula C8H9F3N2O3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
PubChem CID71186688
Molecular FormulaC8H9F3N2O3
Molecular Weight238.16 g/mol
Exact Mass238.06
IUPAC Name2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
SMILESCOCc1cc(C(F)(F)F)nn1CC(=O)O
InChIInChI=1S/C8H9F3N2O3/c1-16-4-5-2-6(8(9,10)11)12-13(5)3-7(14)15/h2H,3-4H2,1H3,(H,14,15)
InChIKeyGJUKBELIQQNZQJ-UHFFFAOYSA-N
XLogP1.13
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Dimethyl-5-ethoxycarbonylpyrazole
CID 138576
1H-Pyrazole-1-acetic acid, 5-methyl-3-(trifluoromethyl)-, ethyl ester
CID 667902
methyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate
CID 83387443
2-(3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl)acetic acid
CID 6485412
Methyl 1-ethyl-3-methyl-1H-pyrazole-5-carboxylate
CID 22167575
Ethyl 1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate
CID 50896718
Ethyl 5-(difluoromethyl)-1-methyl-1H-pyrazole-3-carboxylate
CID 71668973
ethyl 3-(difluoromethyl)-1-methyl-1H-pyrazole-5-carboxylate
CID 71668974
5-(Difluoromethyl)-3-methyl-1H-pyrazole-1-acetic acid
CID 4175028
2-(3-(methoxycarbonyl)-5-methyl-1H-pyrazol-1-yl)acetic acid
CID 54775344
Ethyl 3-(difluoromethyl)-1-isopropyl-1h-pyrazole-5-carboxylate
CID 129892176
ethyl 1-ethyl-3-methyl-1H-pyrazole-5-carboxylate
CID 4154753

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid (CID 71186688) is 2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid is COCc1cc(C(F)(F)F)nn1CC(=O)O.
What is the InChIKey of 2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid?
The InChIKey is GJUKBELIQQNZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3/c1-16-4-5-2-6(8(9,10)11)12-13(5)3-7(14)15/h2H,3-4H2,1H3,(H,14,15).
What are the key properties of 2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid?
2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid has a molecular weight of 238.16 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 71186688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).