5-amino-1-(4-chlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide

C11H11ClN4OS — CID 11231390

IUPAC5-amino-1-(4-chlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide
SMILESCSc1nn(-c2ccc(Cl)cc2)c(N)c1C(N)=O
InChIInChI=1S/C11H11ClN4OS/c1-18-11-8(10(14)17)9(13)16(15-11)7-4-2-6(12)3-5-7/h2-5H,13H2,1H3,(H2,14,17)
InChIKeyMFMHVSUHAILZNQ-UHFFFAOYSA-N
MW282.76 g/mol
LogP1.93
Rot. Bonds3

About 5-amino-1-(4-chlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide

5-amino-1-(4-chlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide (PubChem CID 11231390) has the molecular formula C11H11ClN4OS and a molecular weight of 282.76 g/mol. Its IUPAC name is 5-amino-1-(4-chlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(4-chlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide
PubChem CID11231390
Molecular FormulaC11H11ClN4OS
Molecular Weight282.76 g/mol
Exact Mass282.03
IUPAC Name5-amino-1-(4-chlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide
SMILESCSc1nn(-c2ccc(Cl)cc2)c(N)c1C(N)=O
InChIInChI=1S/C11H11ClN4OS/c1-18-11-8(10(14)17)9(13)16(15-11)7-4-2-6(12)3-5-7/h2-5H,13H2,1H3,(H2,14,17)
InChIKeyMFMHVSUHAILZNQ-UHFFFAOYSA-N
XLogP1.93
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.76
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-chlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(4-chlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide (CID 11231390) is 5-amino-1-(4-chlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(4-chlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(4-chlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide is CSc1nn(-c2ccc(Cl)cc2)c(N)c1C(N)=O.
What is the InChIKey of 5-amino-1-(4-chlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide?
The InChIKey is MFMHVSUHAILZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4OS/c1-18-11-8(10(14)17)9(13)16(15-11)7-4-2-6(12)3-5-7/h2-5H,13H2,1H3,(H2,14,17).
What are the key properties of 5-amino-1-(4-chlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide?
5-amino-1-(4-chlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide has a molecular weight of 282.76 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-chlorophenyl)-3-methylsulfanylpyrazole-4-carboxamide is sourced from PubChem (CID 11231390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).