(E)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]prop-2-enamide

C24H27N3O3 — CID 19328900

IUPAC(E)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCc2cc(C)n(C)n2)cc1COc1ccc(C)cc1
InChIInChI=1S/C24H27N3O3/c1-17-5-9-22(10-6-17)30-16-20-14-19(7-11-23(20)29-4)8-12-24(28)25-15-21-13-18(2)27(3)26-21/h5-14H,15-16H2,1-4H3,(H,25,28)/b12-8+
InChIKeyGXNXKLNANPRDSG-XYOKQWHBSA-N
MW405.50 g/mol
LogP3.95
Rot. Bonds8

About (E)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]prop-2-enamide

(E)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]prop-2-enamide (PubChem CID 19328900) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is (E)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]prop-2-enamide
PubChem CID19328900
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name(E)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCc2cc(C)n(C)n2)cc1COc1ccc(C)cc1
InChIInChI=1S/C24H27N3O3/c1-17-5-9-22(10-6-17)30-16-20-14-19(7-11-23(20)29-4)8-12-24(28)25-15-21-13-18(2)27(3)26-21/h5-14H,15-16H2,1-4H3,(H,25,28)/b12-8+
InChIKeyGXNXKLNANPRDSG-XYOKQWHBSA-N
XLogP3.95
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]-N-[(1-methylpyrazol-3-yl)methyl]prop-2-enamide
CID 19329205
(E)-3-[4-methoxy-3-[(2-methylphenoxy)methyl]phenyl]-N-[(1-methylpyrazol-3-yl)methyl]prop-2-enamide
CID 19329215
(E)-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]prop-2-enamide
CID 19325962
(E)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enamide
CID 19322741
(E)-1-(2,5-dimethoxyphenyl)-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]prop-2-en-1-one
CID 19568773
(E)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]prop-2-enamide
CID 19409641
(E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[4-methoxy-3-[(3-methylphenoxy)methyl]phenyl]prop-2-enamide
CID 19288822
(E)-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]-1-(2-methoxyphenyl)prop-2-en-1-one
CID 19566973
(E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-N-[(1-ethylpyrazol-4-yl)methyl]prop-2-enamide
CID 6283973
(E)-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 19336206
(E)-3-[3-[(4-iodophenoxy)methyl]-4-methoxyphenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
CID 19543260
(E)-N-(1,3-dimethylpyrazol-4-yl)-3-[4-methoxy-3-[(3-methylphenoxy)methyl]phenyl]prop-2-enamide
CID 19346055

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]prop-2-enamide (CID 19328900) is (E)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]prop-2-enamide is COc1ccc(/C=C/C(=O)NCc2cc(C)n(C)n2)cc1COc1ccc(C)cc1.
What is the InChIKey of (E)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]prop-2-enamide?
The InChIKey is GXNXKLNANPRDSG-XYOKQWHBSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-17-5-9-22(10-6-17)30-16-20-14-19(7-11-23(20)29-4)8-12-24(28)25-15-21-13-18(2)27(3)26-21/h5-14H,15-16H2,1-4H3,(H,25,28)/b12-8+.
What are the key properties of (E)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]prop-2-enamide?
(E)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]prop-2-enamide has a molecular weight of 405.50 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 19328900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).