1-(2,4-difluorophenyl)-N-pyridin-3-yl-5-pyrrol-1-ylpyrazole-4-carboxamide

C19H13F2N5O — CID 51052884

IUPAC1-(2,4-difluorophenyl)-N-pyridin-3-yl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(Nc1cccnc1)c1cnn(-c2ccc(F)cc2F)c1-n1cccc1
InChIInChI=1S/C19H13F2N5O/c20-13-5-6-17(16(21)10-13)26-19(25-8-1-2-9-25)15(12-23-26)18(27)24-14-4-3-7-22-11-14/h1-12H,(H,24,27)
InChIKeyAOCMJNPGEPZDLG-UHFFFAOYSA-N
MW365.34 g/mol
LogP3.59
Rot. Bonds4

About 1-(2,4-difluorophenyl)-N-pyridin-3-yl-5-pyrrol-1-ylpyrazole-4-carboxamide

1-(2,4-difluorophenyl)-N-pyridin-3-yl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 51052884) has the molecular formula C19H13F2N5O and a molecular weight of 365.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-pyridin-3-yl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-pyridin-3-yl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID51052884
Molecular FormulaC19H13F2N5O
Molecular Weight365.34 g/mol
Exact Mass365.11
IUPAC Name1-(2,4-difluorophenyl)-N-pyridin-3-yl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(Nc1cccnc1)c1cnn(-c2ccc(F)cc2F)c1-n1cccc1
InChIInChI=1S/C19H13F2N5O/c20-13-5-6-17(16(21)10-13)26-19(25-8-1-2-9-25)15(12-23-26)18(27)24-14-4-3-7-22-11-14/h1-12H,(H,24,27)
InChIKeyAOCMJNPGEPZDLG-UHFFFAOYSA-N
XLogP3.59
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-difluorophenyl)-N-(3-methyl-2-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51055137
1-(2-fluorophenyl)-N-pyridin-4-yl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39954053
N-(2,5-difluorophenyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 43059423
1-(3-fluorophenyl)-N-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936933
methyl 3-[[1-(2,4-difluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]propanoate
CID 86207143
1-(2-fluorophenyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 60573932
1-(2-chloro-5-fluorophenyl)-N-(pyridin-3-ylmethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51053365
azepan-1-yl-[1-(2,4-difluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 86206810
1-(2-fluorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 55580000
N-(2,4-difluorophenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38004934
1-(2-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 37438178
N-(3-acetamidophenyl)-1-(3,5-difluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51053411

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-pyridin-3-yl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-N-pyridin-3-yl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 51052884) is 1-(2,4-difluorophenyl)-N-pyridin-3-yl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-pyridin-3-yl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-pyridin-3-yl-5-pyrrol-1-ylpyrazole-4-carboxamide is O=C(Nc1cccnc1)c1cnn(-c2ccc(F)cc2F)c1-n1cccc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-pyridin-3-yl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is AOCMJNPGEPZDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5O/c20-13-5-6-17(16(21)10-13)26-19(25-8-1-2-9-25)15(12-23-26)18(27)24-14-4-3-7-22-11-14/h1-12H,(H,24,27).
What are the key properties of 1-(2,4-difluorophenyl)-N-pyridin-3-yl-5-pyrrol-1-ylpyrazole-4-carboxamide?
1-(2,4-difluorophenyl)-N-pyridin-3-yl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 365.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-pyridin-3-yl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 51052884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).