5-amino-1-(3-chloro-4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid

C11H9ClFN3O2 — CID 82590028

IUPAC5-amino-1-(3-chloro-4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid
SMILESCc1c(C(=O)O)nn(-c2ccc(F)c(Cl)c2)c1N
InChIInChI=1S/C11H9ClFN3O2/c1-5-9(11(17)18)15-16(10(5)14)6-2-3-8(13)7(12)4-6/h2-4H,14H2,1H3,(H,17,18)
InChIKeyASINPOUGOWXWCF-UHFFFAOYSA-N
MW269.66 g/mol
LogP2.25
Rot. Bonds2

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

5-amino-1-(3-chloro-4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid (PubChem CID 82590028) has the molecular formula C11H9ClFN3O2 and a molecular weight of 269.66 g/mol. Its IUPAC name is 5-amino-1-(3-chloro-4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-(3-chloro-4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid
PubChem CID82590028
Molecular FormulaC11H9ClFN3O2
Molecular Weight269.66 g/mol
Exact Mass269.04
IUPAC Name5-amino-1-(3-chloro-4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid
SMILESCc1c(C(=O)O)nn(-c2ccc(F)c(Cl)c2)c1N
InChIInChI=1S/C11H9ClFN3O2/c1-5-9(11(17)18)15-16(10(5)14)6-2-3-8(13)7(12)4-6/h2-4H,14H2,1H3,(H,17,18)
InChIKeyASINPOUGOWXWCF-UHFFFAOYSA-N
XLogP2.25
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.66
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-amino-1-(3-chloro-4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-amino-1-(3-chloro-4-fluorophenyl)-4-cyanopyrazole-3-carboxylate
CID 82589836
1-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxylic acid
CID 61287468
methyl 5-amino-1-(3-chloro-4-fluorophenyl)triazole-4-carboxylate
CID 82195428
1,5-bis(4-chlorophenyl)-4-methylpyrazole-3-carboxylic acid
CID 66641410
methyl 5-amino-1-(3-chloro-4-fluorophenyl)pyrazole-3-carboxylate
CID 82305712
ethyl 5-amino-1-(3-chloro-4-fluorophenyl)-3-cyclobutylpyrazole-4-carboxylate
CID 22309711
1-(3-chloro-4-fluorophenyl)-3-(2-methylpropyl)-5-propan-2-ylpyrazole-4-carboxylic acid
CID 3699576
[5-amino-1-(3-chloro-4-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone
CID 91871216
6-[1-(3-chloro-4-fluorophenyl)-5-methyltriazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174833
1-(3-chloro-4-fluorophenyl)-3-ethyl-5-propylpyrazole-4-carboxylic acid
CID 3273995
1-(3-chloro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 16771372
1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 91871386

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-chloro-4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-amino-1-(3-chloro-4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid (CID 82590028) is 5-amino-1-(3-chloro-4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-amino-1-(3-chloro-4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-amino-1-(3-chloro-4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid is Cc1c(C(=O)O)nn(-c2ccc(F)c(Cl)c2)c1N.
What is the InChIKey of 5-amino-1-(3-chloro-4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid?
The InChIKey is ASINPOUGOWXWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O2/c1-5-9(11(17)18)15-16(10(5)14)6-2-3-8(13)7(12)4-6/h2-4H,14H2,1H3,(H,17,18).
What are the key properties of 5-amino-1-(3-chloro-4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid?
5-amino-1-(3-chloro-4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid has a molecular weight of 269.66 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-chloro-4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 82590028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).