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

C14H14FN3O — CID 112629995

IUPAC(E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(2-fluorophenyl)prop-2-enamide
SMILESCCc1cn[nH]c1NC(=O)/C=C/c1ccccc1F
InChIInChI=1S/C14H14FN3O/c1-2-10-9-16-18-14(10)17-13(19)8-7-11-5-3-4-6-12(11)15/h3-9H,2H2,1H3,(H2,16,17,18,19)/b8-7+
InChIKeyMUXZRBYRWOOPRJ-BQYQJAHWSA-N
MW259.28 g/mol
LogP2.76
Rot. Bonds4

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

(E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(2-fluorophenyl)prop-2-enamide (PubChem CID 112629995) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is (E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(2-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(2-fluorophenyl)prop-2-enamide
PubChem CID112629995
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name(E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(2-fluorophenyl)prop-2-enamide
SMILESCCc1cn[nH]c1NC(=O)/C=C/c1ccccc1F
InChIInChI=1S/C14H14FN3O/c1-2-10-9-16-18-14(10)17-13(19)8-7-11-5-3-4-6-12(11)15/h3-9H,2H2,1H3,(H2,16,17,18,19)/b8-7+
InChIKeyMUXZRBYRWOOPRJ-BQYQJAHWSA-N
XLogP2.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-bromophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)prop-2-enamide
CID 115681477
(E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(4-methoxyphenyl)prop-2-enamide
CID 115968541
(E)-3-(2-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide
CID 115621183
(E)-N-(5-fluoro-2-methylphenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 2683620
N-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 3454978
(E)-3-(2-chlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)prop-2-enamide
CID 112691402
(E)-3-(2-fluorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]prop-2-enamide
CID 93040792
(E)-3-(5-bromo-2-fluorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)prop-2-enamide
CID 115629944
(E)-3-(2-fluorophenyl)prop-2-enehydrazide
CID 43236608
(E)-3-(2-fluorophenyl)-N-prop-2-ynylprop-2-enamide
CID 39736966
(E)-3-(2-fluorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 8761062
(E)-3-(2-fluorophenyl)-N-[(2R)-2-hydroxypropyl]prop-2-enamide
CID 83059614

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(2-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(2-fluorophenyl)prop-2-enamide (CID 112629995) is (E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(2-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(2-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(2-fluorophenyl)prop-2-enamide is CCc1cn[nH]c1NC(=O)/C=C/c1ccccc1F.
What is the InChIKey of (E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(2-fluorophenyl)prop-2-enamide?
The InChIKey is MUXZRBYRWOOPRJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-2-10-9-16-18-14(10)17-13(19)8-7-11-5-3-4-6-12(11)15/h3-9H,2H2,1H3,(H2,16,17,18,19)/b8-7+.
What are the key properties of (E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(2-fluorophenyl)prop-2-enamide?
(E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(2-fluorophenyl)prop-2-enamide has a molecular weight of 259.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(2-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 112629995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).