N-[4-(dimethylamino)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

C22H20N4OS — CID 2336084

IUPACN-[4-(dimethylamino)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1
InChIInChI=1S/C22H20N4OS/c1-25(2)17-12-10-16(11-13-17)23-22(27)19-15-26(18-7-4-3-5-8-18)24-21(19)20-9-6-14-28-20/h3-15H,1-2H3,(H,23,27)
InChIKeyLOPGINRZVURMPZ-UHFFFAOYSA-N
MW388.50 g/mol
LogP4.92
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

N-[4-(dimethylamino)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 2336084) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID2336084
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC NameN-[4-(dimethylamino)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1
InChIInChI=1S/C22H20N4OS/c1-25(2)17-12-10-16(11-13-17)23-22(27)19-15-26(18-7-4-3-5-8-18)24-21(19)20-9-6-14-28-20/h3-15H,1-2H3,(H,23,27)
InChIKeyLOPGINRZVURMPZ-UHFFFAOYSA-N
XLogP4.92
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 2336084) is N-[4-(dimethylamino)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is CN(C)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is LOPGINRZVURMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS/c1-25(2)17-12-10-16(11-13-17)23-22(27)19-15-26(18-7-4-3-5-8-18)24-21(19)20-9-6-14-28-20/h3-15H,1-2H3,(H,23,27).
What are the key properties of N-[4-(dimethylamino)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N-[4-(dimethylamino)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 388.50 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 2336084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).