1-fluorosulfanyl-4-methoxypyrazole-5-carboxylic acid

C5H5FN2O3S — CID 170756114

IUPAC1-fluorosulfanyl-4-methoxypyrazole-5-carboxylic acid
SMILESCOc1cnn(SF)c1C(=O)O
InChIInChI=1S/C5H5FN2O3S/c1-11-3-2-7-8(12-6)4(3)5(9)10/h2H,1H3,(H,9,10)
InChIKeyFGVWEKFYDJTXSB-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.97
Rot. Bonds3

About 1-fluorosulfanyl-4-methoxypyrazole-5-carboxylic acid

1-fluorosulfanyl-4-methoxypyrazole-5-carboxylic acid (PubChem CID 170756114) has the molecular formula C5H5FN2O3S and a molecular weight of 192.17 g/mol. Its IUPAC name is 1-fluorosulfanyl-4-methoxypyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-fluorosulfanyl-4-methoxypyrazole-5-carboxylic acid
PubChem CID170756114
Molecular FormulaC5H5FN2O3S
Molecular Weight192.17 g/mol
Exact Mass192.00
IUPAC Name1-fluorosulfanyl-4-methoxypyrazole-5-carboxylic acid
SMILESCOc1cnn(SF)c1C(=O)O
InChIInChI=1S/C5H5FN2O3S/c1-11-3-2-7-8(12-6)4(3)5(9)10/h2H,1H3,(H,9,10)
InChIKeyFGVWEKFYDJTXSB-UHFFFAOYSA-N
XLogP0.97
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
1-cyclobutyl-4-methoxypyrazole-5-carboxylic acid
CID 117233148
4-methoxy-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 117233112
1-(4-chlorophenyl)-4-methoxypyrazole-5-carboxylic acid
CID 117233107
1-(furan-2-yl)-4-methoxypyrazole-5-carboxylic acid
CID 117232486
4-methoxy-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid
CID 117232958
4-methoxy-1-(5-methylfuran-2-yl)pyrazole-5-carboxylic acid
CID 117232488
4-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-5-carboxylic acid
CID 117233224
4-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxylic acid
CID 117232726
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
1-(5-chlorothiophen-2-yl)-4-methoxypyrazole-5-carboxylic acid
CID 117232498
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpropan-1-one
CID 114641358

Frequently Asked Questions

What is the IUPAC name of 1-fluorosulfanyl-4-methoxypyrazole-5-carboxylic acid?
The IUPAC name of 1-fluorosulfanyl-4-methoxypyrazole-5-carboxylic acid (CID 170756114) is 1-fluorosulfanyl-4-methoxypyrazole-5-carboxylic acid.
What is the SMILES notation for 1-fluorosulfanyl-4-methoxypyrazole-5-carboxylic acid?
The canonical SMILES for 1-fluorosulfanyl-4-methoxypyrazole-5-carboxylic acid is COc1cnn(SF)c1C(=O)O.
What is the InChIKey of 1-fluorosulfanyl-4-methoxypyrazole-5-carboxylic acid?
The InChIKey is FGVWEKFYDJTXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O3S/c1-11-3-2-7-8(12-6)4(3)5(9)10/h2H,1H3,(H,9,10).
What are the key properties of 1-fluorosulfanyl-4-methoxypyrazole-5-carboxylic acid?
1-fluorosulfanyl-4-methoxypyrazole-5-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorosulfanyl-4-methoxypyrazole-5-carboxylic acid is sourced from PubChem (CID 170756114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).