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

C20H14FIN4O — CID 43059370

IUPAC1-(2-fluorophenyl)-N-(2-iodophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1I)c1cnn(-c2ccccc2F)c1-n1cccc1
InChIInChI=1S/C20H14FIN4O/c21-15-7-1-4-10-18(15)26-20(25-11-5-6-12-25)14(13-23-26)19(27)24-17-9-3-2-8-16(17)22/h1-13H,(H,24,27)
InChIKeyQOULMQJMCQFURL-UHFFFAOYSA-N
MW472.26 g/mol
LogP4.66
Rot. Bonds4

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

1-(2-fluorophenyl)-N-(2-iodophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 43059370) has the molecular formula C20H14FIN4O and a molecular weight of 472.26 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-iodophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-iodophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID43059370
Molecular FormulaC20H14FIN4O
Molecular Weight472.26 g/mol
Exact Mass472.02
IUPAC Name1-(2-fluorophenyl)-N-(2-iodophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1I)c1cnn(-c2ccccc2F)c1-n1cccc1
InChIInChI=1S/C20H14FIN4O/c21-15-7-1-4-10-18(15)26-20(25-11-5-6-12-25)14(13-23-26)19(27)24-17-9-3-2-8-16(17)22/h1-13H,(H,24,27)
InChIKeyQOULMQJMCQFURL-UHFFFAOYSA-N
XLogP4.66
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.26
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-difluorophenyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 43059423
1-(2-fluorophenyl)-N-pyridin-4-yl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39954053
1-(2-fluorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 167973002
N-benzyl-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 46585795
N-(2-fluorophenyl)-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915281
1-(2-fluorophenyl)-N-(2-methyl-5-methylsulfonylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39626083
2-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 78852050
1-(2-fluorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 55580000
N-(cyclobutylmethyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 33383595
1-(2-fluorophenyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 60573932
1-(2-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 37438178
N-[2-(tert-butylamino)-2-oxoethyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39638732

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-iodophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-iodophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 43059370) is 1-(2-fluorophenyl)-N-(2-iodophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-iodophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-iodophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is O=C(Nc1ccccc1I)c1cnn(-c2ccccc2F)c1-n1cccc1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-iodophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is QOULMQJMCQFURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FIN4O/c21-15-7-1-4-10-18(15)26-20(25-11-5-6-12-25)14(13-23-26)19(27)24-17-9-3-2-8-16(17)22/h1-13H,(H,24,27).
What are the key properties of 1-(2-fluorophenyl)-N-(2-iodophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
1-(2-fluorophenyl)-N-(2-iodophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 472.26 g/mol, XLogP of 4.66, 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-(2-iodophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 43059370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).