5-amino-1-(2,3-dichlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide

C11H10Cl2N4OS — CID 11347652

IUPAC5-amino-1-(2,3-dichlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide
SMILESCSc1nn(-c2cccc(Cl)c2Cl)c(N)c1C(N)=O
InChIInChI=1S/C11H10Cl2N4OS/c1-19-11-7(10(15)18)9(14)17(16-11)6-4-2-3-5(12)8(6)13/h2-4H,14H2,1H3,(H2,15,18)
InChIKeyBNCVGTVIRHEUPC-UHFFFAOYSA-N
MW317.20 g/mol
LogP2.58
Rot. Bonds3

About 5-amino-1-(2,3-dichlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide

5-amino-1-(2,3-dichlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide (PubChem CID 11347652) has the molecular formula C11H10Cl2N4OS and a molecular weight of 317.20 g/mol. Its IUPAC name is 5-amino-1-(2,3-dichlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(2,3-dichlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide
PubChem CID11347652
Molecular FormulaC11H10Cl2N4OS
Molecular Weight317.20 g/mol
Exact Mass316.00
IUPAC Name5-amino-1-(2,3-dichlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide
SMILESCSc1nn(-c2cccc(Cl)c2Cl)c(N)c1C(N)=O
InChIInChI=1S/C11H10Cl2N4OS/c1-19-11-7(10(15)18)9(14)17(16-11)6-4-2-3-5(12)8(6)13/h2-4H,14H2,1H3,(H2,15,18)
InChIKeyBNCVGTVIRHEUPC-UHFFFAOYSA-N
XLogP2.58
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-(2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide
CID 146673780
5-amino-1-(2,3-dichlorophenyl)pyrazole-4-carboxamide
CID 58110912
5-amino-1-(7-methylpyrimido[5,4-c]cinnolin-4-yl)-3-methylsulfanylpyrazole-4-carboxamide
CID 3074561
2-(3-amino-1,2,4-triazol-1-yl)-6-chlorobenzamide
CID 62496366
[5-amino-1-[5-(1-aminoethenyl)-2-methylphenyl]-3-methylsulfanylpyrazol-4-yl]-phenylmethanone
CID 163629506
1-[1-(2,3-dichlorophenyl)-5-methyltriazol-4-yl]ethanone
CID 540378
5-amino-1-(2-chlorophenyl)-3-methylpyrazole-4-carbothioamide
CID 13496605
5-amino-1-(3-chloro-2-methylphenyl)triazole-4-carboxylic acid
CID 82298279
2,6-dichlorobenzamide;hydrochloride
CID 172775002
2-(3-amino-4-chloropyrazol-1-yl)-6-fluorobenzamide
CID 79523158
5-amino-1-(4-carbamoyl-2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide
CID 134564349
ethyl 5-amino-1-(5-amino-3-methylsulfanyl-1-phenylpyrazole-4-carbonyl)-3-methylsulfanylpyrazole-4-carboxylate
CID 16750657

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,3-dichlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(2,3-dichlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide (CID 11347652) is 5-amino-1-(2,3-dichlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(2,3-dichlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(2,3-dichlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide is CSc1nn(-c2cccc(Cl)c2Cl)c(N)c1C(N)=O.
What is the InChIKey of 5-amino-1-(2,3-dichlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide?
The InChIKey is BNCVGTVIRHEUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4OS/c1-19-11-7(10(15)18)9(14)17(16-11)6-4-2-3-5(12)8(6)13/h2-4H,14H2,1H3,(H2,15,18).
What are the key properties of 5-amino-1-(2,3-dichlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide?
5-amino-1-(2,3-dichlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide has a molecular weight of 317.20 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,3-dichlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide is sourced from PubChem (CID 11347652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).