5-ethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide

C21H18N4O — CID 137375539

IUPAC5-ethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc3ccccc3n2)cnn1-c1ccccc1
InChIInChI=1S/C21H18N4O/c1-2-19-17(14-22-25(19)16-9-4-3-5-10-16)21(26)24-20-13-12-15-8-6-7-11-18(15)23-20/h3-14H,2H2,1H3,(H,23,24,26)
InChIKeyWAJJETYRXKBHHS-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.24
Rot. Bonds4

About 5-ethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide

5-ethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide (PubChem CID 137375539) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-ethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
PubChem CID137375539
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name5-ethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc3ccccc3n2)cnn1-c1ccccc1
InChIInChI=1S/C21H18N4O/c1-2-19-17(14-22-25(19)16-9-4-3-5-10-16)21(26)24-20-13-12-15-8-6-7-11-18(15)23-20/h3-14H,2H2,1H3,(H,23,24,26)
InChIKeyWAJJETYRXKBHHS-UHFFFAOYSA-N
XLogP4.24
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide (CID 137375539) is 5-ethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide is CCc1c(C(=O)Nc2ccc3ccccc3n2)cnn1-c1ccccc1.
What is the InChIKey of 5-ethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The InChIKey is WAJJETYRXKBHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-2-19-17(14-22-25(19)16-9-4-3-5-10-16)21(26)24-20-13-12-15-8-6-7-11-18(15)23-20/h3-14H,2H2,1H3,(H,23,24,26).
What are the key properties of 5-ethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide?
5-ethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 137375539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).