(E)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide

C24H27N3O2 — CID 9140685

IUPAC(E)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C24H27N3O2/c1-5-29-23-14-10-9-11-20(23)15-16-24(28)26(4)17-22-18(2)25-27(19(22)3)21-12-7-6-8-13-21/h6-16H,5,17H2,1-4H3/b16-15+
InChIKeyLCSMTQQQABJAMR-FOCLMDBBSA-N
MW389.50 g/mol
LogP4.56
Rot. Bonds7

About (E)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide

(E)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide (PubChem CID 9140685) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is (E)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide
PubChem CID9140685
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name(E)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C24H27N3O2/c1-5-29-23-14-10-9-11-20(23)15-16-24(28)26(4)17-22-18(2)25-27(19(22)3)21-12-7-6-8-13-21/h6-16H,5,17H2,1-4H3/b16-15+
InChIKeyLCSMTQQQABJAMR-FOCLMDBBSA-N
XLogP4.56
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(3-methylphenyl)prop-2-enamide
CID 97428954
(E)-3-(4-cyanophenyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylprop-2-enamide
CID 9118596
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-naphthalen-1-yloxypropanamide
CID 47023769
(E)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 26116522
2-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethoxy]benzamide
CID 8531793
3-(2-ethoxyphenyl)-N,N-dimethylprop-2-enamide
CID 76872157
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide
CID 60521825
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3,3-trimethylbutanamide
CID 78799265
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(4-methoxyphenoxy)-N-methylacetamide
CID 9140506
2-benzhydryloxy-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 39763735
2-(4-acetylphenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 26029314
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide
CID 8531865

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide?
The IUPAC name of (E)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide (CID 9140685) is (E)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide is CCOc1ccccc1/C=C/C(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of (E)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide?
The InChIKey is LCSMTQQQABJAMR-FOCLMDBBSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-5-29-23-14-10-9-11-20(23)15-16-24(28)26(4)17-22-18(2)25-27(19(22)3)21-12-7-6-8-13-21/h6-16H,5,17H2,1-4H3/b16-15+.
What are the key properties of (E)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide?
(E)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide has a molecular weight of 389.50 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 9140685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).