(E)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide

C24H27N3O2 — CID 19404843

IUPAC(E)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCCc1ccc(OCn2cc(NC(=O)/C=C/c3ccc(C(C)C)cc3)cn2)cc1
InChIInChI=1S/C24H27N3O2/c1-4-19-7-12-23(13-8-19)29-17-27-16-22(15-25-27)26-24(28)14-9-20-5-10-21(11-6-20)18(2)3/h5-16,18H,4,17H2,1-3H3,(H,26,28)/b14-9+
InChIKeyHBADCUYRKAHKNJ-NTEUORMPSA-N
MW389.50 g/mol
LogP5.26
Rot. Bonds8

About (E)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide

(E)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 19404843) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is (E)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID19404843
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name(E)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCCc1ccc(OCn2cc(NC(=O)/C=C/c3ccc(C(C)C)cc3)cn2)cc1
InChIInChI=1S/C24H27N3O2/c1-4-19-7-12-23(13-8-19)29-17-27-16-22(15-25-27)26-24(28)14-9-20-5-10-21(11-6-20)18(2)3/h5-16,18H,4,17H2,1-3H3,(H,26,28)/b14-9+
InChIKeyHBADCUYRKAHKNJ-NTEUORMPSA-N
XLogP5.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 19340489
(E)-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 19338188
2-(4-chloropyrazol-1-yl)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]propanamide
CID 19538631
(E)-3-(4-fluorophenyl)-N-[1-(methoxymethyl)pyrazol-4-yl]prop-2-enamide
CID 19410926
2-ethyl-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19475482
4-[(4-chlorophenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide
CID 19406514
(E)-N-(3-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6161453
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-2,4-dimethylbenzamide
CID 19406519
4-bromo-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19511435
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281724
4-bromo-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1-methylpyrazole-3-carboxamide
CID 19262899
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262102

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 19404843) is (E)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide is CCc1ccc(OCn2cc(NC(=O)/C=C/c3ccc(C(C)C)cc3)cn2)cc1.
What is the InChIKey of (E)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is HBADCUYRKAHKNJ-NTEUORMPSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-4-19-7-12-23(13-8-19)29-17-27-16-22(15-25-27)26-24(28)14-9-20-5-10-21(11-6-20)18(2)3/h5-16,18H,4,17H2,1-3H3,(H,26,28)/b14-9+.
What are the key properties of (E)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
(E)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 389.50 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 19404843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).