1-(3-fluorophenyl)-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide

C17H17FN4O — CID 20936896

IUPAC1-(3-fluorophenyl)-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCC(C)NC(=O)c1cnn(-c2cccc(F)c2)c1-n1cccc1
InChIInChI=1S/C17H17FN4O/c1-12(2)20-16(23)15-11-19-22(14-7-5-6-13(18)10-14)17(15)21-8-3-4-9-21/h3-12H,1-2H3,(H,20,23)
InChIKeyGFERDTBIQTUMEI-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.94
Rot. Bonds4

About 1-(3-fluorophenyl)-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide

1-(3-fluorophenyl)-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 20936896) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID20936896
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name1-(3-fluorophenyl)-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCC(C)NC(=O)c1cnn(-c2cccc(F)c2)c1-n1cccc1
InChIInChI=1S/C17H17FN4O/c1-12(2)20-16(23)15-11-19-22(14-7-5-6-13(18)10-14)17(15)21-8-3-4-9-21/h3-12H,1-2H3,(H,20,23)
InChIKeyGFERDTBIQTUMEI-UHFFFAOYSA-N
XLogP2.94
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 20936896) is 1-(3-fluorophenyl)-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide is CC(C)NC(=O)c1cnn(-c2cccc(F)c2)c1-n1cccc1.
What is the InChIKey of 1-(3-fluorophenyl)-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is GFERDTBIQTUMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-12(2)20-16(23)15-11-19-22(14-7-5-6-13(18)10-14)17(15)21-8-3-4-9-21/h3-12H,1-2H3,(H,20,23).
What are the key properties of 1-(3-fluorophenyl)-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide?
1-(3-fluorophenyl)-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20936896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).