5-acetamido-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1-phenylpyrazole-3-carboxamide

C23H22N6O2 — CID 51999507

IUPAC5-acetamido-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1-phenylpyrazole-3-carboxamide
SMILESCC(=O)Nc1cc(C(=O)Nc2cnn(Cc3cccc(C)c3)c2)nn1-c1ccccc1
InChIInChI=1S/C23H22N6O2/c1-16-7-6-8-18(11-16)14-28-15-19(13-24-28)26-23(31)21-12-22(25-17(2)30)29(27-21)20-9-4-3-5-10-20/h3-13,15H,14H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyHMPZIMGDJLRICJ-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.64
Rot. Bonds6

About 5-acetamido-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1-phenylpyrazole-3-carboxamide

5-acetamido-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1-phenylpyrazole-3-carboxamide (PubChem CID 51999507) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 5-acetamido-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1-phenylpyrazole-3-carboxamide
PubChem CID51999507
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name5-acetamido-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1-phenylpyrazole-3-carboxamide
SMILESCC(=O)Nc1cc(C(=O)Nc2cnn(Cc3cccc(C)c3)c2)nn1-c1ccccc1
InChIInChI=1S/C23H22N6O2/c1-16-7-6-8-18(11-16)14-28-15-19(13-24-28)26-23(31)21-12-22(25-17(2)30)29(27-21)20-9-4-3-5-10-20/h3-13,15H,14H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyHMPZIMGDJLRICJ-UHFFFAOYSA-N
XLogP3.64
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-acetamido-1-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 51999455
5-acetamido-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-3-carboxamide
CID 51999504
2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19336310
N-(1-benzylpyrazol-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 55946939
1-ethyl-5-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19280821
N-(1-benzylpyrazol-4-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55948214
3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide
CID 60552582
N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-2-nitrobenzamide
CID 19336158
4-bromo-1-ethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19267419
5-acetamido-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 51999472
4-cyano-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 39853571
4-iodo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19479936

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-acetamido-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1-phenylpyrazole-3-carboxamide (CID 51999507) is 5-acetamido-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-acetamido-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-acetamido-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1-phenylpyrazole-3-carboxamide is CC(=O)Nc1cc(C(=O)Nc2cnn(Cc3cccc(C)c3)c2)nn1-c1ccccc1.
What is the InChIKey of 5-acetamido-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is HMPZIMGDJLRICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-16-7-6-8-18(11-16)14-28-15-19(13-24-28)26-23(31)21-12-22(25-17(2)30)29(27-21)20-9-4-3-5-10-20/h3-13,15H,14H2,1-2H3,(H,25,30)(H,26,31).
What are the key properties of 5-acetamido-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1-phenylpyrazole-3-carboxamide?
5-acetamido-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 51999507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).