5-amino-N-(4-methylphenyl)-3-methylsulfanyl-1-phenylpyrazole-4-carboxamide

C18H18N4OS — CID 10688408

IUPAC5-amino-N-(4-methylphenyl)-3-methylsulfanyl-1-phenylpyrazole-4-carboxamide
SMILESCSc1nn(-c2ccccc2)c(N)c1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C18H18N4OS/c1-12-8-10-13(11-9-12)20-17(23)15-16(19)22(21-18(15)24-2)14-6-4-3-5-7-14/h3-11H,19H2,1-2H3,(H,20,23)
InChIKeyIFWALUQIFGQLJR-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.74
Rot. Bonds4

About 5-amino-N-(4-methylphenyl)-3-methylsulfanyl-1-phenylpyrazole-4-carboxamide

5-amino-N-(4-methylphenyl)-3-methylsulfanyl-1-phenylpyrazole-4-carboxamide (PubChem CID 10688408) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 5-amino-N-(4-methylphenyl)-3-methylsulfanyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-methylphenyl)-3-methylsulfanyl-1-phenylpyrazole-4-carboxamide
PubChem CID10688408
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name5-amino-N-(4-methylphenyl)-3-methylsulfanyl-1-phenylpyrazole-4-carboxamide
SMILESCSc1nn(-c2ccccc2)c(N)c1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C18H18N4OS/c1-12-8-10-13(11-9-12)20-17(23)15-16(19)22(21-18(15)24-2)14-6-4-3-5-7-14/h3-11H,19H2,1-2H3,(H,20,23)
InChIKeyIFWALUQIFGQLJR-UHFFFAOYSA-N
XLogP3.74
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-methylphenyl)-3-methylsulfanyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(4-methylphenyl)-3-methylsulfanyl-1-phenylpyrazole-4-carboxamide (CID 10688408) is 5-amino-N-(4-methylphenyl)-3-methylsulfanyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(4-methylphenyl)-3-methylsulfanyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(4-methylphenyl)-3-methylsulfanyl-1-phenylpyrazole-4-carboxamide is CSc1nn(-c2ccccc2)c(N)c1C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 5-amino-N-(4-methylphenyl)-3-methylsulfanyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is IFWALUQIFGQLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-12-8-10-13(11-9-12)20-17(23)15-16(19)22(21-18(15)24-2)14-6-4-3-5-7-14/h3-11H,19H2,1-2H3,(H,20,23).
What are the key properties of 5-amino-N-(4-methylphenyl)-3-methylsulfanyl-1-phenylpyrazole-4-carboxamide?
5-amino-N-(4-methylphenyl)-3-methylsulfanyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-methylphenyl)-3-methylsulfanyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 10688408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).