(E)-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)prop-2-enamide

C14H15N3O2 — CID 104619659

IUPAC(E)-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)prop-2-enamide
SMILESCCc1cc(NC(=O)/C=C/c2ccc(O)cc2)n[nH]1
InChIInChI=1S/C14H15N3O2/c1-2-11-9-13(17-16-11)15-14(19)8-5-10-3-6-12(18)7-4-10/h3-9,18H,2H2,1H3,(H2,15,16,17,19)/b8-5+
InChIKeyRGPOYRPMKRHVLN-VMPITWQZSA-N
MW257.29 g/mol
LogP2.33
Rot. Bonds4

About (E)-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)prop-2-enamide

(E)-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)prop-2-enamide (PubChem CID 104619659) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is (E)-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)prop-2-enamide
PubChem CID104619659
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name(E)-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)prop-2-enamide
SMILESCCc1cc(NC(=O)/C=C/c2ccc(O)cc2)n[nH]1
InChIInChI=1S/C14H15N3O2/c1-2-11-9-13(17-16-11)15-14(19)8-5-10-3-6-12(18)7-4-10/h3-9,18H,2H2,1H3,(H2,15,16,17,19)/b8-5+
InChIKeyRGPOYRPMKRHVLN-VMPITWQZSA-N
XLogP2.33
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-ethylphenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide
CID 104619640
(E)-3-(3,5-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide
CID 104619610
(E)-3-(3-chloro-4-fluorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide
CID 104619569
(E)-3-(3-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide
CID 104619611
(E)-3-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 55028215
(E)-3-(3-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide
CID 115621065
(E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)prop-2-enamide
CID 104619965
(E)-3-(3,4-dimethoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 2426610
(2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)propanamide
CID 104618065
2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-5-hydroxybenzamide
CID 107075978
(E)-3-(2-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide
CID 115621183
1-ethyl-3-(5-ethyl-1H-pyrazol-3-yl)-1-methylurea
CID 104620385

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)prop-2-enamide (CID 104619659) is (E)-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)prop-2-enamide is CCc1cc(NC(=O)/C=C/c2ccc(O)cc2)n[nH]1.
What is the InChIKey of (E)-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)prop-2-enamide?
The InChIKey is RGPOYRPMKRHVLN-VMPITWQZSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-11-9-13(17-16-11)15-14(19)8-5-10-3-6-12(18)7-4-10/h3-9,18H,2H2,1H3,(H2,15,16,17,19)/b8-5+.
What are the key properties of (E)-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)prop-2-enamide?
(E)-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 257.29 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 104619659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).