1-(4-fluorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid

C12H11FN2O3 — CID 117124258

IUPAC1-(4-fluorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid
SMILESCOc1c(C(=O)O)c(C)nn1-c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O3/c1-7-10(12(16)17)11(18-2)15(14-7)9-5-3-8(13)4-6-9/h3-6H,1-2H3,(H,16,17)
InChIKeyAAEWZLCTJBOSMW-UHFFFAOYSA-N
MW250.23 g/mol
LogP2.03
Rot. Bonds3

About 1-(4-fluorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid

1-(4-fluorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid (PubChem CID 117124258) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid
PubChem CID117124258
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name1-(4-fluorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid
SMILESCOc1c(C(=O)O)c(C)nn1-c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O3/c1-7-10(12(16)17)11(18-2)15(14-7)9-5-3-8(13)4-6-9/h3-6H,1-2H3,(H,16,17)
InChIKeyAAEWZLCTJBOSMW-UHFFFAOYSA-N
XLogP2.03
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid
CID 117123962
4-(4-fluorophenyl)-5-methoxy-3-methyl-1-phenylpyrazole
CID 127028497
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 101091522
1-(4-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazole-4-carboxylic acid
CID 117124282
(NZ)-N-[1-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethylidene]hydroxylamine
CID 11075713
5-chloro-1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyrazole-4-carboxamide
CID 31240354
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate
CID 7690988
5-chloro-1-(4-fluorophenyl)-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-carboxamide
CID 55370769
3-tert-butyl-1-(3-fluorophenyl)-5-methoxypyrazole-4-carboxylic acid
CID 117123975
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 119402164
1-(4-fluorophenyl)-3-methyl-4-nitropyrazole-5-carboxylic acid
CID 24728999
2-[5-methoxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 117124290

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid (CID 117124258) is 1-(4-fluorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid is COc1c(C(=O)O)c(C)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid?
The InChIKey is AAEWZLCTJBOSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-7-10(12(16)17)11(18-2)15(14-7)9-5-3-8(13)4-6-9/h3-6H,1-2H3,(H,16,17).
What are the key properties of 1-(4-fluorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid?
1-(4-fluorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid has a molecular weight of 250.23 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 117124258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).