N-[3-[4-(cyclohexa-1,5-diene-1-carbonylamino)phenyl]-1-methylpyrazol-5-yl]-2-methoxybenzamide

C25H24N4O3 — CID 170596340

IUPACN-[3-[4-(cyclohexa-1,5-diene-1-carbonylamino)phenyl]-1-methylpyrazol-5-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(-c2ccc(NC(=O)C3=CCCC=C3)cc2)nn1C
InChIInChI=1S/C25H24N4O3/c1-29-23(27-25(31)20-10-6-7-11-22(20)32-2)16-21(28-29)17-12-14-19(15-13-17)26-24(30)18-8-4-3-5-9-18/h4,6-16H,3,5H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyTVCZBIOUOYCYCL-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.56
Rot. Bonds6

About N-[3-[4-(cyclohexa-1,5-diene-1-carbonylamino)phenyl]-1-methylpyrazol-5-yl]-2-methoxybenzamide

N-[3-[4-(cyclohexa-1,5-diene-1-carbonylamino)phenyl]-1-methylpyrazol-5-yl]-2-methoxybenzamide (PubChem CID 170596340) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[3-[4-(cyclohexa-1,5-diene-1-carbonylamino)phenyl]-1-methylpyrazol-5-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[4-(cyclohexa-1,5-diene-1-carbonylamino)phenyl]-1-methylpyrazol-5-yl]-2-methoxybenzamide
PubChem CID170596340
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC NameN-[3-[4-(cyclohexa-1,5-diene-1-carbonylamino)phenyl]-1-methylpyrazol-5-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(-c2ccc(NC(=O)C3=CCCC=C3)cc2)nn1C
InChIInChI=1S/C25H24N4O3/c1-29-23(27-25(31)20-10-6-7-11-22(20)32-2)16-21(28-29)17-12-14-19(15-13-17)26-24(30)18-8-4-3-5-9-18/h4,6-16H,3,5H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyTVCZBIOUOYCYCL-UHFFFAOYSA-N
XLogP4.56
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-benzamidophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide
CID 170346252
N-[3-[4-(cyclohexa-1,5-diene-1-carbonylamino)phenyl]-1-methylpyrazol-5-yl]pyridine-4-carboxamide
CID 170596427
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide
CID 21105221
2-methoxy-N-[1-methyl-3-[4-(2-methylidenebut-3-enoylamino)phenyl]pyrazol-5-yl]benzamide
CID 170412424
2-acetyl-N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]benzamide
CID 176857987
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-(4-methylphenyl)benzamide
CID 176857902
N-[3-[4-[[5-[iodo(phenyl)methyl]cyclohexa-1,5-diene-1-carbonyl]amino]phenyl]-1-methylpyrazol-5-yl]benzamide
CID 170596540
methyl 3-[[3-(4-benzamidophenyl)-1-methylpyrazol-5-yl]carbamoyl]benzoate
CID 170346238
N-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-methoxy-3-methylbenzamide
CID 17234016
N-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-methylpyridine-3-carboxamide
CID 170346149
3-acetamido-N-[3-[4-[(6-chlorocyclohexa-1,5-diene-1-carbonyl)amino]phenyl]-1-methylpyrazol-5-yl]benzamide
CID 170596437

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(cyclohexa-1,5-diene-1-carbonylamino)phenyl]-1-methylpyrazol-5-yl]-2-methoxybenzamide?
The IUPAC name of N-[3-[4-(cyclohexa-1,5-diene-1-carbonylamino)phenyl]-1-methylpyrazol-5-yl]-2-methoxybenzamide (CID 170596340) is N-[3-[4-(cyclohexa-1,5-diene-1-carbonylamino)phenyl]-1-methylpyrazol-5-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-[4-(cyclohexa-1,5-diene-1-carbonylamino)phenyl]-1-methylpyrazol-5-yl]-2-methoxybenzamide?
The canonical SMILES for N-[3-[4-(cyclohexa-1,5-diene-1-carbonylamino)phenyl]-1-methylpyrazol-5-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cc(-c2ccc(NC(=O)C3=CCCC=C3)cc2)nn1C.
What is the InChIKey of N-[3-[4-(cyclohexa-1,5-diene-1-carbonylamino)phenyl]-1-methylpyrazol-5-yl]-2-methoxybenzamide?
The InChIKey is TVCZBIOUOYCYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-29-23(27-25(31)20-10-6-7-11-22(20)32-2)16-21(28-29)17-12-14-19(15-13-17)26-24(30)18-8-4-3-5-9-18/h4,6-16H,3,5H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N-[3-[4-(cyclohexa-1,5-diene-1-carbonylamino)phenyl]-1-methylpyrazol-5-yl]-2-methoxybenzamide?
N-[3-[4-(cyclohexa-1,5-diene-1-carbonylamino)phenyl]-1-methylpyrazol-5-yl]-2-methoxybenzamide has a molecular weight of 428.49 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(cyclohexa-1,5-diene-1-carbonylamino)phenyl]-1-methylpyrazol-5-yl]-2-methoxybenzamide is sourced from PubChem (CID 170596340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).