1-(4-fluorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide

C23H19FN4O3 — CID 46481236

IUPAC1-(4-fluorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cccc(NC(=O)c3ccco3)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C23H19FN4O3/c1-15-20(14-26-28(15)19-9-7-17(24)8-10-19)22(29)25-13-16-4-2-5-18(12-16)27-23(30)21-6-3-11-31-21/h2-12,14H,13H2,1H3,(H,25,29)(H,27,30)
InChIKeyFZCZYAGYSCSFTK-UHFFFAOYSA-N
MW418.43 g/mol
LogP4.10
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide

1-(4-fluorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide (PubChem CID 46481236) has the molecular formula C23H19FN4O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide
PubChem CID46481236
Molecular FormulaC23H19FN4O3
Molecular Weight418.43 g/mol
Exact Mass418.14
IUPAC Name1-(4-fluorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cccc(NC(=O)c3ccco3)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C23H19FN4O3/c1-15-20(14-26-28(15)19-9-7-17(24)8-10-19)22(29)25-13-16-4-2-5-18(12-16)27-23(30)21-6-3-11-31-21/h2-12,14H,13H2,1H3,(H,25,29)(H,27,30)
InChIKeyFZCZYAGYSCSFTK-UHFFFAOYSA-N
XLogP4.10
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide
CID 55544244
N-[(3-carbamoylphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 32637806
1-(4-fluorophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55595553
N-[(3-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 94048318
1-(4-fluorophenyl)-5-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 34453775
1-(4-fluorophenyl)-5-methyl-N-[3-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide
CID 31814622
N-[(4-fluorophenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 36747874
1-(4-fluorophenyl)-5-propan-2-yl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrazole-4-carboxamide
CID 55953273
5-ethyl-N-(3-ethylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31887301
N-(3-ethylphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55581176
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 46514810
N-[(3-carbamoylphenyl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 32637853

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide (CID 46481236) is 1-(4-fluorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)NCc2cccc(NC(=O)c3ccco3)c2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide?
The InChIKey is FZCZYAGYSCSFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3/c1-15-20(14-26-28(15)19-9-7-17(24)8-10-19)22(29)25-13-16-4-2-5-18(12-16)27-23(30)21-6-3-11-31-21/h2-12,14H,13H2,1H3,(H,25,29)(H,27,30).
What are the key properties of 1-(4-fluorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide has a molecular weight of 418.43 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 46481236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).