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

C22H19N3O2S — CID 9208073

IUPACN-[(4-methoxyphenyl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1
InChIInChI=1S/C22H19N3O2S/c1-27-18-11-9-16(10-12-18)14-23-22(26)19-15-25(17-6-3-2-4-7-17)24-21(19)20-8-5-13-28-20/h2-13,15H,14H2,1H3,(H,23,26)
InChIKeyGMCXBXIHOZZHQA-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.54
Rot. Bonds6

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

N-[(4-methoxyphenyl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 9208073) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID9208073
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1
InChIInChI=1S/C22H19N3O2S/c1-27-18-11-9-16(10-12-18)14-23-22(26)19-15-25(17-6-3-2-4-7-17)24-21(19)20-8-5-13-28-20/h2-13,15H,14H2,1H3,(H,23,26)
InChIKeyGMCXBXIHOZZHQA-UHFFFAOYSA-N
XLogP4.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 9208073) is N-[(4-methoxyphenyl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is COc1ccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is GMCXBXIHOZZHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-27-18-11-9-16(10-12-18)14-23-22(26)19-15-25(17-6-3-2-4-7-17)24-21(19)20-8-5-13-28-20/h2-13,15H,14H2,1H3,(H,23,26).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N-[(4-methoxyphenyl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 9208073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).