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

C17H17FN4O2 — CID 78854330

IUPAC1-(4-fluorophenyl)-N-(2-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCC(O)CNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
InChIInChI=1S/C17H17FN4O2/c1-12(23)10-19-16(24)15-11-20-22(14-6-4-13(18)5-7-14)17(15)21-8-2-3-9-21/h2-9,11-12,23H,10H2,1H3,(H,19,24)
InChIKeyZWYIDLLTCJEPRQ-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.91
Rot. Bonds5

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

1-(4-fluorophenyl)-N-(2-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 78854330) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID78854330
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name1-(4-fluorophenyl)-N-(2-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCC(O)CNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
InChIInChI=1S/C17H17FN4O2/c1-12(23)10-19-16(24)15-11-20-22(14-6-4-13(18)5-7-14)17(15)21-8-2-3-9-21/h2-9,11-12,23H,10H2,1H3,(H,19,24)
InChIKeyZWYIDLLTCJEPRQ-UHFFFAOYSA-N
XLogP1.91
TPSA72.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 78854330) is 1-(4-fluorophenyl)-N-(2-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is CC(O)CNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is ZWYIDLLTCJEPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-12(23)10-19-16(24)15-11-20-22(14-6-4-13(18)5-7-14)17(15)21-8-2-3-9-21/h2-9,11-12,23H,10H2,1H3,(H,19,24).
What are the key properties of 1-(4-fluorophenyl)-N-(2-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-(2-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-hydroxypropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 78854330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).