N-(2-phenoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

C26H19N3O2S — CID 2407481

IUPACN-(2-phenoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C26H19N3O2S/c30-26(27-22-14-7-8-15-23(22)31-20-12-5-2-6-13-20)21-18-29(19-10-3-1-4-11-19)28-25(21)24-16-9-17-32-24/h1-18H,(H,27,30)
InChIKeyWOCUCVHNALIGSY-UHFFFAOYSA-N
MW437.52 g/mol
LogP6.65
Rot. Bonds6

About N-(2-phenoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

N-(2-phenoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 2407481) has the molecular formula C26H19N3O2S and a molecular weight of 437.52 g/mol. Its IUPAC name is N-(2-phenoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID2407481
Molecular FormulaC26H19N3O2S
Molecular Weight437.52 g/mol
Exact Mass437.12
IUPAC NameN-(2-phenoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C26H19N3O2S/c30-26(27-22-14-7-8-15-23(22)31-20-12-5-2-6-13-20)21-18-29(19-10-3-1-4-11-19)28-25(21)24-16-9-17-32-24/h1-18H,(H,27,30)
InChIKeyWOCUCVHNALIGSY-UHFFFAOYSA-N
XLogP6.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.52
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 8745127
N-(2-methoxy-5-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 7778291
N-(5-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4812792
1-phenyl-N-pyridin-3-yl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2999058
1-phenyl-N-[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]butyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4048100
N-(3-acetamidophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282160
N-[2-(2-fluorophenoxy)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 18228769
1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea
CID 86835748
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 39043396
1-phenyl-N-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4963779
N-(3,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336041
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55732927

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2-phenoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 2407481) is N-(2-phenoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-phenoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-phenoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is O=C(Nc1ccccc1Oc1ccccc1)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of N-(2-phenoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is WOCUCVHNALIGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O2S/c30-26(27-22-14-7-8-15-23(22)31-20-12-5-2-6-13-20)21-18-29(19-10-3-1-4-11-19)28-25(21)24-16-9-17-32-24/h1-18H,(H,27,30).
What are the key properties of N-(2-phenoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N-(2-phenoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 6.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 2407481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).