2-ethyl-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]pyrazole-3-carboxamide

C22H19FN4O — CID 71114964

IUPAC2-ethyl-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1cc2ccc(-c3cc(F)ccc3C)cc2cn1
InChIInChI=1S/C22H19FN4O/c1-3-27-20(8-9-25-27)22(28)26-21-11-15-5-6-16(10-17(15)13-24-21)19-12-18(23)7-4-14(19)2/h4-13H,3H2,1-2H3,(H,24,26,28)
InChIKeyPMWPUSLNYBUYFL-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.82
Rot. Bonds4

About 2-ethyl-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]pyrazole-3-carboxamide

2-ethyl-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]pyrazole-3-carboxamide (PubChem CID 71114964) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-ethyl-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]pyrazole-3-carboxamide
PubChem CID71114964
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name2-ethyl-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1cc2ccc(-c3cc(F)ccc3C)cc2cn1
InChIInChI=1S/C22H19FN4O/c1-3-27-20(8-9-25-27)22(28)26-21-11-15-5-6-16(10-17(15)13-24-21)19-12-18(23)7-4-14(19)2/h4-13H,3H2,1-2H3,(H,24,26,28)
InChIKeyPMWPUSLNYBUYFL-UHFFFAOYSA-N
XLogP4.82
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]pyrazole-3-carboxamide (CID 71114964) is 2-ethyl-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]pyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1cc2ccc(-c3cc(F)ccc3C)cc2cn1.
What is the InChIKey of 2-ethyl-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]pyrazole-3-carboxamide?
The InChIKey is PMWPUSLNYBUYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c1-3-27-20(8-9-25-27)22(28)26-21-11-15-5-6-16(10-17(15)13-24-21)19-12-18(23)7-4-14(19)2/h4-13H,3H2,1-2H3,(H,24,26,28).
What are the key properties of 2-ethyl-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]pyrazole-3-carboxamide?
2-ethyl-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]pyrazole-3-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 71114964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).