methyl 5-amino-1-(3-chloro-4-fluorophenyl)pyrazole-3-carboxylate

C11H9ClFN3O2 — CID 82305712

IUPACmethyl 5-amino-1-(3-chloro-4-fluorophenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(N)n(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C11H9ClFN3O2/c1-18-11(17)9-5-10(14)16(15-9)6-2-3-8(13)7(12)4-6/h2-5H,14H2,1H3
InChIKeyOVCPAGFFJIOYEQ-UHFFFAOYSA-N
MW269.66 g/mol
LogP2.03
Rot. Bonds2

About methyl 5-amino-1-(3-chloro-4-fluorophenyl)pyrazole-3-carboxylate

methyl 5-amino-1-(3-chloro-4-fluorophenyl)pyrazole-3-carboxylate (PubChem CID 82305712) has the molecular formula C11H9ClFN3O2 and a molecular weight of 269.66 g/mol. Its IUPAC name is methyl 5-amino-1-(3-chloro-4-fluorophenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(3-chloro-4-fluorophenyl)pyrazole-3-carboxylate
PubChem CID82305712
Molecular FormulaC11H9ClFN3O2
Molecular Weight269.66 g/mol
Exact Mass269.04
IUPAC Namemethyl 5-amino-1-(3-chloro-4-fluorophenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(N)n(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C11H9ClFN3O2/c1-18-11(17)9-5-10(14)16(15-9)6-2-3-8(13)7(12)4-6/h2-5H,14H2,1H3
InChIKeyOVCPAGFFJIOYEQ-UHFFFAOYSA-N
XLogP2.03
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.66
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-1-(3-chloro-4-fluorophenyl)triazole-4-carboxylate
CID 82195428
methyl 1-(4-chloro-3-fluorophenyl)-5-methylpyrazole-3-carboxylate
CID 79150154
methyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate
CID 14399715
methyl 1-(3-chloro-4-fluorophenyl)-4-hydroxypyrazole-3-carboxylate
CID 705932
5-amino-1-(3-chloro-4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid
CID 82590028
dimethyl 1-(4-fluorophenyl)pyrazole-3,5-dicarboxylate
CID 11140407
methyl 5-bromo-1-(4-fluorophenyl)pyrazole-3-carboxylate
CID 178088151
methyl 5-amino-1-pyridin-2-ylpyrazole-3-carboxylate
CID 86250027
methyl 5-amino-1-(4-chloro-3-fluorophenyl)-3-(methylamino)pyrazole-4-carboxylate
CID 102809174
ethane;methyl 5-bromo-1-(4-fluorophenyl)pyrazole-3-carboxylate
CID 178088150
dimethyl 1-(3-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 2949038
ethyl 5-amino-1-[(3-chloro-4-fluorophenyl)methyl]pyrazole-3-carboxylate
CID 82589221

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(3-chloro-4-fluorophenyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 5-amino-1-(3-chloro-4-fluorophenyl)pyrazole-3-carboxylate (CID 82305712) is methyl 5-amino-1-(3-chloro-4-fluorophenyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(3-chloro-4-fluorophenyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 5-amino-1-(3-chloro-4-fluorophenyl)pyrazole-3-carboxylate is COC(=O)c1cc(N)n(-c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of methyl 5-amino-1-(3-chloro-4-fluorophenyl)pyrazole-3-carboxylate?
The InChIKey is OVCPAGFFJIOYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O2/c1-18-11(17)9-5-10(14)16(15-9)6-2-3-8(13)7(12)4-6/h2-5H,14H2,1H3.
What are the key properties of methyl 5-amino-1-(3-chloro-4-fluorophenyl)pyrazole-3-carboxylate?
methyl 5-amino-1-(3-chloro-4-fluorophenyl)pyrazole-3-carboxylate has a molecular weight of 269.66 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(3-chloro-4-fluorophenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 82305712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).