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

C15H16FN3O — CID 115621183

IUPAC(E)-3-(2-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide
SMILESCCCc1cc(NC(=O)/C=C/c2ccccc2F)n[nH]1
InChIInChI=1S/C15H16FN3O/c1-2-5-12-10-14(19-18-12)17-15(20)9-8-11-6-3-4-7-13(11)16/h3-4,6-10H,2,5H2,1H3,(H2,17,18,19,20)/b9-8+
InChIKeySDEDETMKEIGNPJ-CMDGGOBGSA-N
MW273.31 g/mol
LogP3.15
Rot. Bonds5

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

(E)-3-(2-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide (PubChem CID 115621183) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is (E)-3-(2-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide
PubChem CID115621183
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name(E)-3-(2-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide
SMILESCCCc1cc(NC(=O)/C=C/c2ccccc2F)n[nH]1
InChIInChI=1S/C15H16FN3O/c1-2-5-12-10-14(19-18-12)17-15(20)9-8-11-6-3-4-7-13(11)16/h3-4,6-10H,2,5H2,1H3,(H2,17,18,19,20)/b9-8+
InChIKeySDEDETMKEIGNPJ-CMDGGOBGSA-N
XLogP3.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.15
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-(3-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide
CID 115621065
(E)-3-(2,4-dimethylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide
CID 115621226
3-(2-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 78952338
(E)-N-(4-ethyl-1H-pyrazol-5-yl)-3-(2-fluorophenyl)prop-2-enamide
CID 112629995
(E)-3-(3-chloro-4-fluorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide
CID 104619569
(E)-3-(4-ethylphenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide
CID 104619640
2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115647444
3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid
CID 104621777
(E)-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 104619659
3-phenyl-N-(5-propyl-1H-pyrazol-3-yl)prop-2-ynamide
CID 115672265
2-iodo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233988
2-(2-chlorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115619750

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(2-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide (CID 115621183) is (E)-3-(2-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide is CCCc1cc(NC(=O)/C=C/c2ccccc2F)n[nH]1.
What is the InChIKey of (E)-3-(2-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide?
The InChIKey is SDEDETMKEIGNPJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-2-5-12-10-14(19-18-12)17-15(20)9-8-11-6-3-4-7-13(11)16/h3-4,6-10H,2,5H2,1H3,(H2,17,18,19,20)/b9-8+.
What are the key properties of (E)-3-(2-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide?
(E)-3-(2-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide has a molecular weight of 273.31 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 115621183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).