1-phenyl-N-prop-2-enyl-3-thiophen-2-ylpyrazole-4-carboxamide

C17H15N3OS — CID 9207408

IUPAC1-phenyl-N-prop-2-enyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESC=CCNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C17H15N3OS/c1-2-10-18-17(21)14-12-20(13-7-4-3-5-8-13)19-16(14)15-9-6-11-22-15/h2-9,11-12H,1,10H2,(H,18,21)
InChIKeyRRZAFIVJLROHNB-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.52
Rot. Bonds5

About 1-phenyl-N-prop-2-enyl-3-thiophen-2-ylpyrazole-4-carboxamide

1-phenyl-N-prop-2-enyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 9207408) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-phenyl-N-prop-2-enyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-prop-2-enyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID9207408
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name1-phenyl-N-prop-2-enyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESC=CCNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C17H15N3OS/c1-2-10-18-17(21)14-12-20(13-7-4-3-5-8-13)19-16(14)15-9-6-11-22-15/h2-9,11-12H,1,10H2,(H,18,21)
InChIKeyRRZAFIVJLROHNB-UHFFFAOYSA-N
XLogP3.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-prop-2-enyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-prop-2-enyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 9207408) is 1-phenyl-N-prop-2-enyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-prop-2-enyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-prop-2-enyl-3-thiophen-2-ylpyrazole-4-carboxamide is C=CCNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of 1-phenyl-N-prop-2-enyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is RRZAFIVJLROHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-2-10-18-17(21)14-12-20(13-7-4-3-5-8-13)19-16(14)15-9-6-11-22-15/h2-9,11-12H,1,10H2,(H,18,21).
What are the key properties of 1-phenyl-N-prop-2-enyl-3-thiophen-2-ylpyrazole-4-carboxamide?
1-phenyl-N-prop-2-enyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-prop-2-enyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 9207408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).