5-amino-1-(3-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid

C12H12ClN3O2 — CID 71255665

IUPAC5-amino-1-(3-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid
SMILESCCc1nn(-c2cccc(Cl)c2)c(N)c1C(=O)O
InChIInChI=1S/C12H12ClN3O2/c1-2-9-10(12(17)18)11(14)16(15-9)8-5-3-4-7(13)6-8/h3-6H,2,14H2,1H3,(H,17,18)
InChIKeyTVFBGKGIGRVCEB-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.37
Rot. Bonds3

About 5-amino-1-(3-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid

5-amino-1-(3-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid (PubChem CID 71255665) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 5-amino-1-(3-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-(3-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid
PubChem CID71255665
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name5-amino-1-(3-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid
SMILESCCc1nn(-c2cccc(Cl)c2)c(N)c1C(=O)O
InChIInChI=1S/C12H12ClN3O2/c1-2-9-10(12(17)18)11(14)16(15-9)8-5-3-4-7(13)6-8/h3-6H,2,14H2,1H3,(H,17,18)
InChIKeyTVFBGKGIGRVCEB-UHFFFAOYSA-N
XLogP2.37
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-diamino-1-(3-chlorophenyl)pyrazole-4-carboxylic acid
CID 115056445
5-amino-3-ethyl-1-(2-fluorophenyl)pyrazole-4-carboxylic acid
CID 91231371
[5-chloro-1-(3-chlorophenyl)-3-ethylpyrazol-4-yl]methanol
CID 43156530
5-chloro-1-(3-chloro-4-methylphenyl)-3-ethylpyrazole-4-carboxylic acid
CID 43328292
1-(3-chlorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid
CID 117123962
1-(3-chlorophenyl)-3-(2,2-dimethylpropyl)-5-phenylpyrazole-4-carboxylic acid
CID 3767155
5-amino-3-ethyl-1-phenylpyrazole-4-carboxylic acid;triazolo[4,5-b]pyridin-3-yl 5-amino-3-ethyl-1-phenylpyrazole-4-carboxylate
CID 87711291
5-amino-1-(3-chlorophenyl)pyrazole-3-carboxylic acid
CID 82116964
1-(2,4-dichlorophenyl)-3,5-diethylpyrazole-4-carboxylic acid
CID 107430854
1-(3-chlorophenyl)-3-methylpyrazole-4,5-diamine
CID 10513268
1-(2,5-dichlorophenyl)-3-ethyl-5-phenylpyrazole-4-carboxylic acid
CID 3344991
5-chloro-1-(3,5-dimethylphenyl)-3-ethylpyrazole-4-carboxylic acid
CID 43542603

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid?
The IUPAC name of 5-amino-1-(3-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid (CID 71255665) is 5-amino-1-(3-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-1-(3-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-amino-1-(3-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid is CCc1nn(-c2cccc(Cl)c2)c(N)c1C(=O)O.
What is the InChIKey of 5-amino-1-(3-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid?
The InChIKey is TVFBGKGIGRVCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-2-9-10(12(17)18)11(14)16(15-9)8-5-3-4-7(13)6-8/h3-6H,2,14H2,1H3,(H,17,18).
What are the key properties of 5-amino-1-(3-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid?
5-amino-1-(3-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid has a molecular weight of 265.70 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 71255665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).