1-(2-aminophenyl)-N-(2-methyl-3-methylsulfanylpropyl)pyrazole-3-carboxamide

C15H20N4OS — CID 63983474

IUPAC1-(2-aminophenyl)-N-(2-methyl-3-methylsulfanylpropyl)pyrazole-3-carboxamide
SMILESCSCC(C)CNC(=O)c1ccn(-c2ccccc2N)n1
InChIInChI=1S/C15H20N4OS/c1-11(10-21-2)9-17-15(20)13-7-8-19(18-13)14-6-4-3-5-12(14)16/h3-8,11H,9-10,16H2,1-2H3,(H,17,20)
InChIKeyQGUBVWUHTNKLHB-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.18
Rot. Bonds6

About 1-(2-aminophenyl)-N-(2-methyl-3-methylsulfanylpropyl)pyrazole-3-carboxamide

1-(2-aminophenyl)-N-(2-methyl-3-methylsulfanylpropyl)pyrazole-3-carboxamide (PubChem CID 63983474) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-(2-methyl-3-methylsulfanylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-(2-methyl-3-methylsulfanylpropyl)pyrazole-3-carboxamide
PubChem CID63983474
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-(2-aminophenyl)-N-(2-methyl-3-methylsulfanylpropyl)pyrazole-3-carboxamide
SMILESCSCC(C)CNC(=O)c1ccn(-c2ccccc2N)n1
InChIInChI=1S/C15H20N4OS/c1-11(10-21-2)9-17-15(20)13-7-8-19(18-13)14-6-4-3-5-12(14)16/h3-8,11H,9-10,16H2,1-2H3,(H,17,20)
InChIKeyQGUBVWUHTNKLHB-UHFFFAOYSA-N
XLogP2.18
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminophenyl)-N-ethyl-N-methylpyrazole-3-carboxamide
CID 43475556
1-(2-fluorophenyl)-N-(4-hydroxy-2-methylpentyl)pyrazole-3-carboxamide
CID 111447765
1-(2-aminophenyl)-N-methyl-N-(3-methylbutan-2-yl)pyrazole-3-carboxamide
CID 43569580
1-(2-aminophenyl)-N-(1-hydroxybutan-2-yl)pyrazole-3-carboxamide
CID 43498480
1-(2-aminophenyl)-N-(3-methylpentan-3-yl)pyrazole-3-carboxamide
CID 106327801
1-(2-aminophenyl)-N-methyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 43570572
6-amino-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 63962957
1-(2-aminophenyl)pyrazole-3-carboxamide
CID 43475524
1-(4-aminophenyl)-N-(2-methylbutyl)pyrazole-3-carboxamide
CID 62700733
1-(2-fluorophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide
CID 120827733
1-(2-aminophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide
CID 79379901
1-(3-aminophenyl)-N-(3-hydroxy-2-methylpropyl)pyrazole-3-carboxamide
CID 65032072

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-(2-methyl-3-methylsulfanylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-aminophenyl)-N-(2-methyl-3-methylsulfanylpropyl)pyrazole-3-carboxamide (CID 63983474) is 1-(2-aminophenyl)-N-(2-methyl-3-methylsulfanylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-(2-methyl-3-methylsulfanylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-aminophenyl)-N-(2-methyl-3-methylsulfanylpropyl)pyrazole-3-carboxamide is CSCC(C)CNC(=O)c1ccn(-c2ccccc2N)n1.
What is the InChIKey of 1-(2-aminophenyl)-N-(2-methyl-3-methylsulfanylpropyl)pyrazole-3-carboxamide?
The InChIKey is QGUBVWUHTNKLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-11(10-21-2)9-17-15(20)13-7-8-19(18-13)14-6-4-3-5-12(14)16/h3-8,11H,9-10,16H2,1-2H3,(H,17,20).
What are the key properties of 1-(2-aminophenyl)-N-(2-methyl-3-methylsulfanylpropyl)pyrazole-3-carboxamide?
1-(2-aminophenyl)-N-(2-methyl-3-methylsulfanylpropyl)pyrazole-3-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-(2-methyl-3-methylsulfanylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 63983474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).