N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

C27H26N6O2 — CID 20915153

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1ccc(-n2nc(C)c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2-n2cccc2)cc1
InChIInChI=1S/C27H26N6O2/c1-18-12-14-21(15-13-18)32-26(31-16-8-9-17-31)23(19(2)29-32)25(34)28-24-20(3)30(4)33(27(24)35)22-10-6-5-7-11-22/h5-17H,1-4H3,(H,28,34)
InChIKeyHWFMJOXYNDATRJ-UHFFFAOYSA-N
MW466.55 g/mol
LogP4.33
Rot. Bonds5

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 20915153) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID20915153
Molecular FormulaC27H26N6O2
Molecular Weight466.55 g/mol
Exact Mass466.21
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1ccc(-n2nc(C)c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2-n2cccc2)cc1
InChIInChI=1S/C27H26N6O2/c1-18-12-14-21(15-13-18)32-26(31-16-8-9-17-31)23(19(2)29-32)25(34)28-24-20(3)30(4)33(27(24)35)22-10-6-5-7-11-22/h5-17H,1-4H3,(H,28,34)
InChIKeyHWFMJOXYNDATRJ-UHFFFAOYSA-N
XLogP4.33
TPSA78.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 27649003
N-(3,5-dimethylphenyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915222
3-methyl-N-[(4-methylphenyl)methyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892672
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1-phenyl-4H-1,2,4-triazole-3-carboxamide
CID 136734247
3-methyl-1-(4-methylphenyl)-N-(1-phenylethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915134
N-(4-fluorophenyl)-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892669
N-(3,5-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915121
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1250062
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 35864182
N-benzyl-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892655
N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55974289

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 20915153) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is Cc1ccc(-n2nc(C)c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2-n2cccc2)cc1.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is HWFMJOXYNDATRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-18-12-14-21(15-13-18)32-26(31-16-8-9-17-31)23(19(2)29-32)25(34)28-24-20(3)30(4)33(27(24)35)22-10-6-5-7-11-22/h5-17H,1-4H3,(H,28,34).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 466.55 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20915153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).