(E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enamide

C23H25N3O4 — CID 19340508

IUPAC(E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enamide
SMILESCCOCn1cc(NC(=O)/C=C/c2ccc(OC)c(COc3ccccc3)c2)cn1
InChIInChI=1S/C23H25N3O4/c1-3-29-17-26-15-20(14-24-26)25-23(27)12-10-18-9-11-22(28-2)19(13-18)16-30-21-7-5-4-6-8-21/h4-15H,3,16-17H2,1-2H3,(H,25,27)/b12-10+
InChIKeyOIHMLJXNOWXSAR-ZRDIBKRKSA-N
MW407.47 g/mol
LogP4.12
Rot. Bonds10

About (E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enamide

(E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enamide (PubChem CID 19340508) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is (E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enamide
PubChem CID19340508
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name(E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enamide
SMILESCCOCn1cc(NC(=O)/C=C/c2ccc(OC)c(COc3ccccc3)c2)cn1
InChIInChI=1S/C23H25N3O4/c1-3-29-17-26-15-20(14-24-26)25-23(27)12-10-18-9-11-22(28-2)19(13-18)16-30-21-7-5-4-6-8-21/h4-15H,3,16-17H2,1-2H3,(H,25,27)/b12-10+
InChIKeyOIHMLJXNOWXSAR-ZRDIBKRKSA-N
XLogP4.12
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enamide
CID 19410366
(E)-3-[4-methoxy-3-[(3-methylphenoxy)methyl]phenyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 19346342
(E)-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 19336206
(E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 19340489
(E)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]prop-2-enamide
CID 19395496
4-[[(E)-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396217
(E)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enamide
CID 19322741
(E)-3-[4-methoxy-3-[(4-phenylphenoxy)methyl]phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
CID 19543341
(E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enamide
CID 19462853
(E)-3-[4-methoxy-3-(phenoxymethyl)phenyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]prop-2-enamide
CID 19400883
(E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-N-[(1-ethylpyrazol-4-yl)methyl]prop-2-enamide
CID 6283973
(E)-1-(1-ethylpyrazol-4-yl)-3-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]prop-2-en-1-one
CID 19543398

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enamide (CID 19340508) is (E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enamide is CCOCn1cc(NC(=O)/C=C/c2ccc(OC)c(COc3ccccc3)c2)cn1.
What is the InChIKey of (E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enamide?
The InChIKey is OIHMLJXNOWXSAR-ZRDIBKRKSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-3-29-17-26-15-20(14-24-26)25-23(27)12-10-18-9-11-22(28-2)19(13-18)16-30-21-7-5-4-6-8-21/h4-15H,3,16-17H2,1-2H3,(H,25,27)/b12-10+.
What are the key properties of (E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enamide?
(E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enamide has a molecular weight of 407.47 g/mol, XLogP of 4.12, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 19340508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).