1-(4-fluorophenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid

C12H11FN2O3 — CID 82362057

IUPAC1-(4-fluorophenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid
SMILESCOCc1cc(C(=O)O)nn1-c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O3/c1-18-7-10-6-11(12(16)17)14-15(10)9-4-2-8(13)3-5-9/h2-6H,7H2,1H3,(H,16,17)
InChIKeyLZOIFWIMGCSMNZ-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.86
Rot. Bonds4

About 1-(4-fluorophenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid

1-(4-fluorophenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid (PubChem CID 82362057) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid
PubChem CID82362057
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name1-(4-fluorophenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid
SMILESCOCc1cc(C(=O)O)nn1-c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O3/c1-18-7-10-6-11(12(16)17)14-15(10)9-4-2-8(13)3-5-9/h2-6H,7H2,1H3,(H,16,17)
InChIKeyLZOIFWIMGCSMNZ-UHFFFAOYSA-N
XLogP1.86
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid (CID 82362057) is 1-(4-fluorophenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid is COCc1cc(C(=O)O)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid?
The InChIKey is LZOIFWIMGCSMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-18-7-10-6-11(12(16)17)14-15(10)9-4-2-8(13)3-5-9/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of 1-(4-fluorophenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid?
1-(4-fluorophenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid has a molecular weight of 250.23 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 82362057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).