N-phenyl-5-(2-thiophen-2-ylethenyl)pyrazole-1-carboxamide

C16H13N3OS — CID 2805985

IUPACN-phenyl-5-(2-thiophen-2-ylethenyl)pyrazole-1-carboxamide
SMILESO=C(Nc1ccccc1)n1nccc1C=Cc1cccs1
InChIInChI=1S/C16H13N3OS/c20-16(18-13-5-2-1-3-6-13)19-14(10-11-17-19)8-9-15-7-4-12-21-15/h1-12H,(H,18,20)
InChIKeyXESFYGSPMQKAMH-UHFFFAOYSA-N
MW295.37 g/mol
LogP4.20
Rot. Bonds3

About N-phenyl-5-(2-thiophen-2-ylethenyl)pyrazole-1-carboxamide

N-phenyl-5-(2-thiophen-2-ylethenyl)pyrazole-1-carboxamide (PubChem CID 2805985) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is N-phenyl-5-(2-thiophen-2-ylethenyl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-5-(2-thiophen-2-ylethenyl)pyrazole-1-carboxamide
PubChem CID2805985
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC NameN-phenyl-5-(2-thiophen-2-ylethenyl)pyrazole-1-carboxamide
SMILESO=C(Nc1ccccc1)n1nccc1C=Cc1cccs1
InChIInChI=1S/C16H13N3OS/c20-16(18-13-5-2-1-3-6-13)19-14(10-11-17-19)8-9-15-7-4-12-21-15/h1-12H,(H,18,20)
InChIKeyXESFYGSPMQKAMH-UHFFFAOYSA-N
XLogP4.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-(2-thiophen-2-ylethenyl)pyrazole-1-carboxamide?
The IUPAC name of N-phenyl-5-(2-thiophen-2-ylethenyl)pyrazole-1-carboxamide (CID 2805985) is N-phenyl-5-(2-thiophen-2-ylethenyl)pyrazole-1-carboxamide.
What is the SMILES notation for N-phenyl-5-(2-thiophen-2-ylethenyl)pyrazole-1-carboxamide?
The canonical SMILES for N-phenyl-5-(2-thiophen-2-ylethenyl)pyrazole-1-carboxamide is O=C(Nc1ccccc1)n1nccc1C=Cc1cccs1.
What is the InChIKey of N-phenyl-5-(2-thiophen-2-ylethenyl)pyrazole-1-carboxamide?
The InChIKey is XESFYGSPMQKAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c20-16(18-13-5-2-1-3-6-13)19-14(10-11-17-19)8-9-15-7-4-12-21-15/h1-12H,(H,18,20).
What are the key properties of N-phenyl-5-(2-thiophen-2-ylethenyl)pyrazole-1-carboxamide?
N-phenyl-5-(2-thiophen-2-ylethenyl)pyrazole-1-carboxamide has a molecular weight of 295.37 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-(2-thiophen-2-ylethenyl)pyrazole-1-carboxamide is sourced from PubChem (CID 2805985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).