N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide

C23H19N3O3 — CID 31130909

IUPACN-(4-acetylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)cc1
InChIInChI=1S/C23H19N3O3/c1-15-8-13-21(29-15)22-20(14-26(25-22)19-6-4-3-5-7-19)23(28)24-18-11-9-17(10-12-18)16(2)27/h3-14H,1-2H3,(H,24,28)
InChIKeyFMSNIYPDFSURFU-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.90
Rot. Bonds5

About N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide

N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 31130909) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID31130909
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC NameN-(4-acetylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)cc1
InChIInChI=1S/C23H19N3O3/c1-15-8-13-21(29-15)22-20(14-26(25-22)19-6-4-3-5-7-19)23(28)24-18-11-9-17(10-12-18)16(2)27/h3-14H,1-2H3,(H,24,28)
InChIKeyFMSNIYPDFSURFU-UHFFFAOYSA-N
XLogP4.90
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31131413
N-(4-acetylphenyl)-3-(1-benzofuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 2140158
N-(4-carbamoyl-3-methylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 56518331
N-(4-acetylphenyl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1068310
methyl 3-methyl-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoate
CID 55538260
N-(4-acetylphenyl)-3-(2-oxochromen-3-yl)-1-phenylpyrazole-4-carboxamide
CID 2398116
3-(5-methylfuran-2-yl)-1-phenyl-N-(2,3,4-trifluorophenyl)pyrazole-4-carboxamide
CID 31279912
methyl 4-chloro-3-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoate
CID 55338476
N-(4-acetylphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 1287887
N-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 34230439
N-(3-methylbutyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31435539
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide (CID 31130909) is N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide is CC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is FMSNIYPDFSURFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-15-8-13-21(29-15)22-20(14-26(25-22)19-6-4-3-5-7-19)23(28)24-18-11-9-17(10-12-18)16(2)27/h3-14H,1-2H3,(H,24,28).
What are the key properties of N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 31130909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).