1-(4-fluorophenyl)-5-methylpyrazole-4-sulfinic acid

C10H9FN2O2S — CID 165453860

IUPAC1-(4-fluorophenyl)-5-methylpyrazole-4-sulfinic acid
SMILESCc1c(S(=O)O)cnn1-c1ccc(F)cc1
InChIInChI=1S/C10H9FN2O2S/c1-7-10(16(14)15)6-12-13(7)9-4-2-8(11)3-5-9/h2-6H,1H3,(H,14,15)
InChIKeyLEZPQPQEMKPWEZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.90
Rot. Bonds2

About 1-(4-fluorophenyl)-5-methylpyrazole-4-sulfinic acid

1-(4-fluorophenyl)-5-methylpyrazole-4-sulfinic acid (PubChem CID 165453860) has the molecular formula C10H9FN2O2S and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methylpyrazole-4-sulfinic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methylpyrazole-4-sulfinic acid
PubChem CID165453860
Molecular FormulaC10H9FN2O2S
Molecular Weight240.26 g/mol
Exact Mass240.04
IUPAC Name1-(4-fluorophenyl)-5-methylpyrazole-4-sulfinic acid
SMILESCc1c(S(=O)O)cnn1-c1ccc(F)cc1
InChIInChI=1S/C10H9FN2O2S/c1-7-10(16(14)15)6-12-13(7)9-4-2-8(11)3-5-9/h2-6H,1H3,(H,14,15)
InChIKeyLEZPQPQEMKPWEZ-UHFFFAOYSA-N
XLogP1.90
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propanoic acid
CID 170879426
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]acetaldehyde
CID 83887983
2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride
CID 170892804
(2R)-2-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 119368921
2-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 119170322
1-(4-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N,5-dimethylpyrazole-4-sulfonamide
CID 97066461
1-(4-fluorophenyl)-N-iodo-5-methyl-N-propylpyrazole-4-carboxamide
CID 142010489
N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 61273138
1-(4-fluorophenyl)-N-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 134005041
1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 119387105
N-(1-aminopropan-2-yl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 119582420
N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 47438698

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methylpyrazole-4-sulfinic acid?
The IUPAC name of 1-(4-fluorophenyl)-5-methylpyrazole-4-sulfinic acid (CID 165453860) is 1-(4-fluorophenyl)-5-methylpyrazole-4-sulfinic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methylpyrazole-4-sulfinic acid?
The canonical SMILES for 1-(4-fluorophenyl)-5-methylpyrazole-4-sulfinic acid is Cc1c(S(=O)O)cnn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methylpyrazole-4-sulfinic acid?
The InChIKey is LEZPQPQEMKPWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2S/c1-7-10(16(14)15)6-12-13(7)9-4-2-8(11)3-5-9/h2-6H,1H3,(H,14,15).
What are the key properties of 1-(4-fluorophenyl)-5-methylpyrazole-4-sulfinic acid?
1-(4-fluorophenyl)-5-methylpyrazole-4-sulfinic acid has a molecular weight of 240.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methylpyrazole-4-sulfinic acid is sourced from PubChem (CID 165453860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).