N-(1,3-dihydro-2-benzofuran-5-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide

C21H20FN3O2 — CID 126785728

IUPACN-(1,3-dihydro-2-benzofuran-5-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2ccc3c(c2)COC3)cnn1-c1ccc(F)cc1
InChIInChI=1S/C21H20FN3O2/c1-13(2)20-19(10-23-25(20)18-7-4-16(22)5-8-18)21(26)24-17-6-3-14-11-27-12-15(14)9-17/h3-10,13H,11-12H2,1-2H3,(H,24,26)
InChIKeyWRTJJVKYWYBSPG-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.42
Rot. Bonds4

About N-(1,3-dihydro-2-benzofuran-5-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide

N-(1,3-dihydro-2-benzofuran-5-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 126785728) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is N-(1,3-dihydro-2-benzofuran-5-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydro-2-benzofuran-5-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID126785728
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC NameN-(1,3-dihydro-2-benzofuran-5-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2ccc3c(c2)COC3)cnn1-c1ccc(F)cc1
InChIInChI=1S/C21H20FN3O2/c1-13(2)20-19(10-23-25(20)18-7-4-16(22)5-8-18)21(26)24-17-6-3-14-11-27-12-15(14)9-17/h3-10,13H,11-12H2,1-2H3,(H,24,26)
InChIKeyWRTJJVKYWYBSPG-UHFFFAOYSA-N
XLogP4.42
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31882537
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1-(4-fluorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-5-propan-2-ylpyrazole-4-carboxamide
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N-(3-ethylphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55581176
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CID 31855056
1-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 56556091
1-(4-fluorophenyl)-N-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 134005041
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CID 55609101
1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 31892928
1-(4-fluorophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55595553
4-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 171556286
1-(4-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-propan-2-ylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydro-2-benzofuran-5-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(1,3-dihydro-2-benzofuran-5-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 126785728) is N-(1,3-dihydro-2-benzofuran-5-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1,3-dihydro-2-benzofuran-5-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(1,3-dihydro-2-benzofuran-5-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)Nc2ccc3c(c2)COC3)cnn1-c1ccc(F)cc1.
What is the InChIKey of N-(1,3-dihydro-2-benzofuran-5-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is WRTJJVKYWYBSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-13(2)20-19(10-23-25(20)18-7-4-16(22)5-8-18)21(26)24-17-6-3-14-11-27-12-15(14)9-17/h3-10,13H,11-12H2,1-2H3,(H,24,26).
What are the key properties of N-(1,3-dihydro-2-benzofuran-5-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
N-(1,3-dihydro-2-benzofuran-5-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydro-2-benzofuran-5-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 126785728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).