(E)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)prop-2-enamide

C22H23N3O4 — CID 51248444

IUPAC(E)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccnn2Cc2cccc(OC)c2OC)c1
InChIInChI=1S/C22H23N3O4/c1-27-18-8-4-6-16(14-18)10-11-21(26)24-20-12-13-23-25(20)15-17-7-5-9-19(28-2)22(17)29-3/h4-14H,15H2,1-3H3,(H,24,26)/b11-10+
InChIKeyWOYGNFCUZONEIN-ZHACJKMWSA-N
MW393.44 g/mol
LogP3.61
Rot. Bonds8

About (E)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)prop-2-enamide

(E)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)prop-2-enamide (PubChem CID 51248444) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is (E)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)prop-2-enamide
PubChem CID51248444
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name(E)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccnn2Cc2cccc(OC)c2OC)c1
InChIInChI=1S/C22H23N3O4/c1-27-18-8-4-6-16(14-18)10-11-21(26)24-20-12-13-23-25(20)15-17-7-5-9-19(28-2)22(17)29-3/h4-14H,15H2,1-3H3,(H,24,26)/b11-10+
InChIKeyWOYGNFCUZONEIN-ZHACJKMWSA-N
XLogP3.61
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.61
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

3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]prop-2-enamide
CID 75865660
(E)-3-(2-bromophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]prop-2-enamide
CID 98643129
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide
CID 55435135
3-(3,4-dimethoxyphenyl)-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]prop-2-enamide
CID 76862867
(E)-N-(2-butylpyrazol-3-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 86983051
2-(2,4-dimethoxyphenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 55434840
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 55685777
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-[(3-methylphenyl)methoxy]benzamide
CID 52554971
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 51248461
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(2-ethylphenoxy)acetamide
CID 51248455
(E)-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 51198965
N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 75541037

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)prop-2-enamide (CID 51248444) is (E)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)prop-2-enamide is COc1cccc(/C=C/C(=O)Nc2ccnn2Cc2cccc(OC)c2OC)c1.
What is the InChIKey of (E)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is WOYGNFCUZONEIN-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-27-18-8-4-6-16(14-18)10-11-21(26)24-20-12-13-23-25(20)15-17-7-5-9-19(28-2)22(17)29-3/h4-14H,15H2,1-3H3,(H,24,26)/b11-10+.
What are the key properties of (E)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)prop-2-enamide?
(E)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 393.44 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 51248444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).