N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]phenyl]-4-oxoheptanamide

C26H31N3O6 — CID 58066576

IUPACN-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]phenyl]-4-oxoheptanamide
SMILESCCCC(=O)CCC(=O)Nc1cc(C2=C(c3cc(OC)c(OC)c(OC)c3)N=NC2)ccc1OC
InChIInChI=1S/C26H31N3O6/c1-6-7-18(30)9-11-24(31)28-20-12-16(8-10-21(20)32-2)19-15-27-29-25(19)17-13-22(33-3)26(35-5)23(14-17)34-4/h8,10,12-14H,6-7,9,11,15H2,1-5H3,(H,28,31)
InChIKeyUXZGSHFSFSUNGZ-UHFFFAOYSA-N
MW481.55 g/mol
LogP5.14
Rot. Bonds12

About N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]phenyl]-4-oxoheptanamide

N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]phenyl]-4-oxoheptanamide (PubChem CID 58066576) has the molecular formula C26H31N3O6 and a molecular weight of 481.55 g/mol. Its IUPAC name is N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]phenyl]-4-oxoheptanamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]phenyl]-4-oxoheptanamide
PubChem CID58066576
Molecular FormulaC26H31N3O6
Molecular Weight481.55 g/mol
Exact Mass481.22
IUPAC NameN-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]phenyl]-4-oxoheptanamide
SMILESCCCC(=O)CCC(=O)Nc1cc(C2=C(c3cc(OC)c(OC)c(OC)c3)N=NC2)ccc1OC
InChIInChI=1S/C26H31N3O6/c1-6-7-18(30)9-11-24(31)28-20-12-16(8-10-21(20)32-2)19-15-27-29-25(19)17-13-22(33-3)26(35-5)23(14-17)34-4/h8,10,12-14H,6-7,9,11,15H2,1-5H3,(H,28,31)
InChIKeyUXZGSHFSFSUNGZ-UHFFFAOYSA-N
XLogP5.14
TPSA107.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.55
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]phenyl]-4-oxoheptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-5-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]anilino]-5-oxopentanoic acid
CID 58066547
[3-carboxy-1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]anilino]-1-oxopropan-2-yl]azanium
CID 58066530
N-[2-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-2-oxoethyl]butanamide
CID 59430200
5-[4-methoxy-3-(pentanoylamino)phenyl]furan-2-carboxylic acid
CID 91687999
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
3-(butanoylamino)-4-methoxybenzamide
CID 47243869
4-[[2-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 58712063
N-(5-bromo-2-methoxyphenyl)octanamide
CID 60540438
N-(3-acetamido-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 33307641
4-[[2-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]anilino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 59430164
[5-amino-1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-1,5-dioxopentan-2-yl]azanium
CID 59430131
N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide
CID 122322732

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]phenyl]-4-oxoheptanamide?
The IUPAC name of N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]phenyl]-4-oxoheptanamide (CID 58066576) is N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]phenyl]-4-oxoheptanamide.
What is the SMILES notation for N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]phenyl]-4-oxoheptanamide?
The canonical SMILES for N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]phenyl]-4-oxoheptanamide is CCCC(=O)CCC(=O)Nc1cc(C2=C(c3cc(OC)c(OC)c(OC)c3)N=NC2)ccc1OC.
What is the InChIKey of N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]phenyl]-4-oxoheptanamide?
The InChIKey is UXZGSHFSFSUNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O6/c1-6-7-18(30)9-11-24(31)28-20-12-16(8-10-21(20)32-2)19-15-27-29-25(19)17-13-22(33-3)26(35-5)23(14-17)34-4/h8,10,12-14H,6-7,9,11,15H2,1-5H3,(H,28,31).
What are the key properties of N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]phenyl]-4-oxoheptanamide?
N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]phenyl]-4-oxoheptanamide has a molecular weight of 481.55 g/mol, XLogP of 5.14, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]phenyl]-4-oxoheptanamide is sourced from PubChem (CID 58066576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).