1-(2-fluorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

C23H21FN6O — CID 55580000

IUPAC1-(2-fluorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)nc1)c1cnn(-c2ccccc2F)c1-n1cccc1
InChIInChI=1S/C23H21FN6O/c24-19-7-1-2-8-20(19)30-23(29-13-5-6-14-29)18(16-26-30)22(31)27-17-9-10-21(25-15-17)28-11-3-4-12-28/h1-2,5-10,13-16H,3-4,11-12H2,(H,27,31)
InChIKeyZERGQZQCZONMAD-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.05
Rot. Bonds5

About 1-(2-fluorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

1-(2-fluorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 55580000) has the molecular formula C23H21FN6O and a molecular weight of 416.46 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID55580000
Molecular FormulaC23H21FN6O
Molecular Weight416.46 g/mol
Exact Mass416.18
IUPAC Name1-(2-fluorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)nc1)c1cnn(-c2ccccc2F)c1-n1cccc1
InChIInChI=1S/C23H21FN6O/c24-19-7-1-2-8-20(19)30-23(29-13-5-6-14-29)18(16-26-30)22(31)27-17-9-10-21(25-15-17)28-11-3-4-12-28/h1-2,5-10,13-16H,3-4,11-12H2,(H,27,31)
InChIKeyZERGQZQCZONMAD-UHFFFAOYSA-N
XLogP4.05
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-fluorophenyl)-N-pyridin-4-yl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39954053
2-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014414
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 55964680
N-(2,5-difluorophenyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 43059423
1-(2-fluorophenyl)-N-(2-iodophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 43059370
1-(2-fluorophenyl)-5-propyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-triazole-3-carboxamide
CID 126792874
1-(2-fluorophenyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 60573932
N-benzyl-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 46585795
N-(cyclobutylmethyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 33383595
2-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 78852050
1-(2-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 37438178
1-(2,4-difluorophenyl)-N-pyridin-3-yl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51052884

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 55580000) is 1-(2-fluorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is O=C(Nc1ccc(N2CCCC2)nc1)c1cnn(-c2ccccc2F)c1-n1cccc1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is ZERGQZQCZONMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O/c24-19-7-1-2-8-20(19)30-23(29-13-5-6-14-29)18(16-26-30)22(31)27-17-9-10-21(25-15-17)28-11-3-4-12-28/h1-2,5-10,13-16H,3-4,11-12H2,(H,27,31).
What are the key properties of 1-(2-fluorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
1-(2-fluorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55580000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).