1-phenyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C17H18N4O — CID 6623544

IUPAC1-phenyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCCCNC(=O)c1cnn(-c2ccccc2)c1-n1cccc1
InChIInChI=1S/C17H18N4O/c1-2-10-18-16(22)15-13-19-21(14-8-4-3-5-9-14)17(15)20-11-6-7-12-20/h3-9,11-13H,2,10H2,1H3,(H,18,22)
InChIKeyKBBJVBZFRLXQME-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.80
Rot. Bonds5

About 1-phenyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide

1-phenyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 6623544) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-phenyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID6623544
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name1-phenyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCCCNC(=O)c1cnn(-c2ccccc2)c1-n1cccc1
InChIInChI=1S/C17H18N4O/c1-2-10-18-16(22)15-13-19-21(14-8-4-3-5-9-14)17(15)20-11-6-7-12-20/h3-9,11-13H,2,10H2,1H3,(H,18,22)
InChIKeyKBBJVBZFRLXQME-UHFFFAOYSA-N
XLogP2.80
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-phenyl-N-propyl-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 1-phenyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 6623544) is 1-phenyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide is CCCNC(=O)c1cnn(-c2ccccc2)c1-n1cccc1.
What is the InChIKey of 1-phenyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is KBBJVBZFRLXQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-10-18-16(22)15-13-19-21(14-8-4-3-5-9-14)17(15)20-11-6-7-12-20/h3-9,11-13H,2,10H2,1H3,(H,18,22).
What are the key properties of 1-phenyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
1-phenyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 6623544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).