N-(4-fluorophenyl)-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C21H17FN4O — CID 20892669

IUPACN-(4-fluorophenyl)-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C21H17FN4O/c1-15-19(20(27)23-17-11-9-16(22)10-12-17)21(25-13-5-6-14-25)26(24-15)18-7-3-2-4-8-18/h2-14H,1H3,(H,23,27)
InChIKeyRCECCTKXESYWPB-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.36
Rot. Bonds4

About N-(4-fluorophenyl)-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide

N-(4-fluorophenyl)-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 20892669) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID20892669
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC NameN-(4-fluorophenyl)-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C21H17FN4O/c1-15-19(20(27)23-17-11-9-16(22)10-12-17)21(25-13-5-6-14-25)26(24-15)18-7-3-2-4-8-18/h2-14H,1H3,(H,23,27)
InChIKeyRCECCTKXESYWPB-UHFFFAOYSA-N
XLogP4.36
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 20892669) is N-(4-fluorophenyl)-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is RCECCTKXESYWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c1-15-19(20(27)23-17-11-9-16(22)10-12-17)21(25-13-5-6-14-25)26(24-15)18-7-3-2-4-8-18/h2-14H,1H3,(H,23,27).
What are the key properties of N-(4-fluorophenyl)-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-(4-fluorophenyl)-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20892669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).