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

C23H19BrN4O3 — CID 55544244

IUPAC1-(4-bromophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C23H19BrN4O3/c1-15-20(14-26-28(15)19-10-6-17(24)7-11-19)22(29)25-13-16-4-8-18(9-5-16)27-23(30)21-3-2-12-31-21/h2-12,14H,13H2,1H3,(H,25,29)(H,27,30)
InChIKeyUSOARCQMQXHLCF-UHFFFAOYSA-N
MW479.33 g/mol
LogP4.72
Rot. Bonds6

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

1-(4-bromophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide (PubChem CID 55544244) has the molecular formula C23H19BrN4O3 and a molecular weight of 479.33 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide
PubChem CID55544244
Molecular FormulaC23H19BrN4O3
Molecular Weight479.33 g/mol
Exact Mass478.06
IUPAC Name1-(4-bromophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C23H19BrN4O3/c1-15-20(14-26-28(15)19-10-6-17(24)7-11-19)22(29)25-13-16-4-8-18(9-5-16)27-23(30)21-3-2-12-31-21/h2-12,14H,13H2,1H3,(H,25,29)(H,27,30)
InChIKeyUSOARCQMQXHLCF-UHFFFAOYSA-N
XLogP4.72
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.33
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide
CID 46481236
1-(4-fluorophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55595553
methyl 4-[[[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]amino]methyl]benzoate
CID 46559311
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
N-[4-[[[4-(4-bromopyrazol-1-yl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 55602278
1-(4-bromophenyl)-N-[4-(cyanomethyl)phenyl]-5-methylpyrazole-4-carboxamide
CID 33325210
N-(1-benzylpyrazol-4-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
CID 55947460
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 42018071
1-(4-bromophenyl)-5-methyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 32693366
1-(4-bromophenyl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-5-methylpyrazole-4-carboxamide
CID 60572248
1-(4-bromophenyl)-5-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-4-carboxamide
CID 37120145
N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide
CID 5306879

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide (CID 55544244) is 1-(4-bromophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cnn1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide?
The InChIKey is USOARCQMQXHLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN4O3/c1-15-20(14-26-28(15)19-10-6-17(24)7-11-19)22(29)25-13-16-4-8-18(9-5-16)27-23(30)21-3-2-12-31-21/h2-12,14H,13H2,1H3,(H,25,29)(H,27,30).
What are the key properties of 1-(4-bromophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide?
1-(4-bromophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide has a molecular weight of 479.33 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 55544244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).