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

C18H19FN4O — CID 20915319

IUPACN-butan-2-yl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCCC(C)NC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
InChIInChI=1S/C18H19FN4O/c1-3-13(2)21-17(24)16-12-20-23(15-8-6-14(19)7-9-15)18(16)22-10-4-5-11-22/h4-13H,3H2,1-2H3,(H,21,24)
InChIKeyZXVHDQXRBNEDLV-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.33
Rot. Bonds5

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

N-butan-2-yl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 20915319) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is N-butan-2-yl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID20915319
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC NameN-butan-2-yl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCCC(C)NC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
InChIInChI=1S/C18H19FN4O/c1-3-13(2)21-17(24)16-12-20-23(15-8-6-14(19)7-9-15)18(16)22-10-4-5-11-22/h4-13H,3H2,1-2H3,(H,21,24)
InChIKeyZXVHDQXRBNEDLV-UHFFFAOYSA-N
XLogP3.33
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 20915319) is N-butan-2-yl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is CCC(C)NC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1.
What is the InChIKey of N-butan-2-yl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is ZXVHDQXRBNEDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-3-13(2)21-17(24)16-12-20-23(15-8-6-14(19)7-9-15)18(16)22-10-4-5-11-22/h4-13H,3H2,1-2H3,(H,21,24).
What are the key properties of N-butan-2-yl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-butan-2-yl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20915319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).