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

C17H17FN4O — CID 51049144

IUPAC1-(2-fluorophenyl)-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCC(C)NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1
InChIInChI=1S/C17H17FN4O/c1-12(2)20-16(23)13-11-19-22(15-8-4-3-7-14(15)18)17(13)21-9-5-6-10-21/h3-12H,1-2H3,(H,20,23)
InChIKeyIVOKEXMBKYUCPV-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.94
Rot. Bonds4

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

1-(2-fluorophenyl)-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 51049144) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID51049144
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name1-(2-fluorophenyl)-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCC(C)NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1
InChIInChI=1S/C17H17FN4O/c1-12(2)20-16(23)13-11-19-22(15-8-4-3-7-14(15)18)17(13)21-9-5-6-10-21/h3-12H,1-2H3,(H,20,23)
InChIKeyIVOKEXMBKYUCPV-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

Analyze 1-(2-fluorophenyl)-N-propan-2-yl-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-(2-fluorophenyl)-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 51049144) is 1-(2-fluorophenyl)-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide is CC(C)NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1.
What is the InChIKey of 1-(2-fluorophenyl)-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is IVOKEXMBKYUCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-12(2)20-16(23)13-11-19-22(15-8-4-3-7-14(15)18)17(13)21-9-5-6-10-21/h3-12H,1-2H3,(H,20,23).
What are the key properties of 1-(2-fluorophenyl)-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide?
1-(2-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-(2-fluorophenyl)-N-propan-2-yl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 51049144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).