1-(2-fluorophenyl)-N-(2-hydroxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

C16H15FN4O2 — CID 78854346

IUPAC1-(2-fluorophenyl)-N-(2-hydroxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(NCCO)c1cnn(-c2ccccc2F)c1-n1cccc1
InChIInChI=1S/C16H15FN4O2/c17-13-5-1-2-6-14(13)21-16(20-8-3-4-9-20)12(11-19-21)15(23)18-7-10-22/h1-6,8-9,11,22H,7,10H2,(H,18,23)
InChIKeyYASMGHUKOTURES-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.52
Rot. Bonds5

About 1-(2-fluorophenyl)-N-(2-hydroxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

1-(2-fluorophenyl)-N-(2-hydroxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 78854346) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-hydroxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-hydroxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID78854346
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name1-(2-fluorophenyl)-N-(2-hydroxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(NCCO)c1cnn(-c2ccccc2F)c1-n1cccc1
InChIInChI=1S/C16H15FN4O2/c17-13-5-1-2-6-14(13)21-16(20-8-3-4-9-20)12(11-19-21)15(23)18-7-10-22/h1-6,8-9,11,22H,7,10H2,(H,18,23)
InChIKeyYASMGHUKOTURES-UHFFFAOYSA-N
XLogP1.52
TPSA72.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-hydroxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-hydroxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 78854346) is 1-(2-fluorophenyl)-N-(2-hydroxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-hydroxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-hydroxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is O=C(NCCO)c1cnn(-c2ccccc2F)c1-n1cccc1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-hydroxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is YASMGHUKOTURES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c17-13-5-1-2-6-14(13)21-16(20-8-3-4-9-20)12(11-19-21)15(23)18-7-10-22/h1-6,8-9,11,22H,7,10H2,(H,18,23).
What are the key properties of 1-(2-fluorophenyl)-N-(2-hydroxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
1-(2-fluorophenyl)-N-(2-hydroxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 314.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(2-hydroxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 78854346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).