(E)-3-[4-(methoxymethoxy)phenyl]-N-(1H-pyrazol-5-yl)prop-2-enamide

C14H15N3O3 — CID 110501197

IUPAC(E)-3-[4-(methoxymethoxy)phenyl]-N-(1H-pyrazol-5-yl)prop-2-enamide
SMILESCOCOc1ccc(/C=C/C(=O)Nc2ccn[nH]2)cc1
InChIInChI=1S/C14H15N3O3/c1-19-10-20-12-5-2-11(3-6-12)4-7-14(18)16-13-8-9-15-17-13/h2-9H,10H2,1H3,(H2,15,16,17,18)/b7-4+
InChIKeyOOCRXLRJTFZTPO-QPJJXVBHSA-N
MW273.29 g/mol
LogP2.04
Rot. Bonds6

About (E)-3-[4-(methoxymethoxy)phenyl]-N-(1H-pyrazol-5-yl)prop-2-enamide

(E)-3-[4-(methoxymethoxy)phenyl]-N-(1H-pyrazol-5-yl)prop-2-enamide (PubChem CID 110501197) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is (E)-3-[4-(methoxymethoxy)phenyl]-N-(1H-pyrazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(methoxymethoxy)phenyl]-N-(1H-pyrazol-5-yl)prop-2-enamide
PubChem CID110501197
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name(E)-3-[4-(methoxymethoxy)phenyl]-N-(1H-pyrazol-5-yl)prop-2-enamide
SMILESCOCOc1ccc(/C=C/C(=O)Nc2ccn[nH]2)cc1
InChIInChI=1S/C14H15N3O3/c1-19-10-20-12-5-2-11(3-6-12)4-7-14(18)16-13-8-9-15-17-13/h2-9H,10H2,1H3,(H2,15,16,17,18)/b7-4+
InChIKeyOOCRXLRJTFZTPO-QPJJXVBHSA-N
XLogP2.04
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromophenyl)-N-(1H-pyrazol-5-yl)prop-2-enamide
CID 61393521
3-phenyl-N-(1H-pyrazol-5-yl)prop-2-enamide
CID 61393054
N-(1H-pyrazol-5-yl)-3-pyridin-4-ylprop-2-enamide
CID 70007700
(E)-N-(3,5-dimethylphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110501087
(E)-N-(2-hydroxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110501090
(E)-N-(2-hydroxyethyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110497154
(E)-N-(2,5-dimethoxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110501086
3-(5-methylfuran-2-yl)-N-(1H-pyrazol-5-yl)prop-2-enamide
CID 61393608
1-(methoxymethoxy)-4-[2-[4-(methoxymethoxy)phenyl]ethenyl]benzene
CID 5098450
(E)-3-[4-(methoxymethoxy)phenyl]-N-(2-methylcyclohexyl)prop-2-enamide
CID 110497204
(E)-N-[3-(dimethylamino)propyl]-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110497194
(E)-4-oxo-4-(1H-pyrazol-5-ylamino)but-2-enoic acid
CID 71670290

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(methoxymethoxy)phenyl]-N-(1H-pyrazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-3-[4-(methoxymethoxy)phenyl]-N-(1H-pyrazol-5-yl)prop-2-enamide (CID 110501197) is (E)-3-[4-(methoxymethoxy)phenyl]-N-(1H-pyrazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(methoxymethoxy)phenyl]-N-(1H-pyrazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-3-[4-(methoxymethoxy)phenyl]-N-(1H-pyrazol-5-yl)prop-2-enamide is COCOc1ccc(/C=C/C(=O)Nc2ccn[nH]2)cc1.
What is the InChIKey of (E)-3-[4-(methoxymethoxy)phenyl]-N-(1H-pyrazol-5-yl)prop-2-enamide?
The InChIKey is OOCRXLRJTFZTPO-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-19-10-20-12-5-2-11(3-6-12)4-7-14(18)16-13-8-9-15-17-13/h2-9H,10H2,1H3,(H2,15,16,17,18)/b7-4+.
What are the key properties of (E)-3-[4-(methoxymethoxy)phenyl]-N-(1H-pyrazol-5-yl)prop-2-enamide?
(E)-3-[4-(methoxymethoxy)phenyl]-N-(1H-pyrazol-5-yl)prop-2-enamide has a molecular weight of 273.29 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(methoxymethoxy)phenyl]-N-(1H-pyrazol-5-yl)prop-2-enamide is sourced from PubChem (CID 110501197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).