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

C15H16FN3O — CID 115621065

IUPAC(E)-3-(3-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide
SMILESCCCc1cc(NC(=O)/C=C/c2cccc(F)c2)n[nH]1
InChIInChI=1S/C15H16FN3O/c1-2-4-13-10-14(19-18-13)17-15(20)8-7-11-5-3-6-12(16)9-11/h3,5-10H,2,4H2,1H3,(H2,17,18,19,20)/b8-7+
InChIKeyNENXBFZJEQOKHN-BQYQJAHWSA-N
MW273.31 g/mol
LogP3.15
Rot. Bonds5

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

(E)-3-(3-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide (PubChem CID 115621065) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide
PubChem CID115621065
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name(E)-3-(3-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide
SMILESCCCc1cc(NC(=O)/C=C/c2cccc(F)c2)n[nH]1
InChIInChI=1S/C15H16FN3O/c1-2-4-13-10-14(19-18-13)17-15(20)8-7-11-5-3-6-12(16)9-11/h3,5-10H,2,4H2,1H3,(H2,17,18,19,20)/b8-7+
InChIKeyNENXBFZJEQOKHN-BQYQJAHWSA-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-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide
CID 104619611
(E)-3-(2-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide
CID 115621183
(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
(E)-3-(2,4-dimethylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide
CID 115621226
(E)-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 104619659
(E)-3-(3-fluorophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 78792560
(E)-3-(3,5-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide
CID 104619610
(E)-3-(3-fluorophenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 84554139
3-[3-(3-methylphenyl)prop-2-enoylamino]-1H-pyrazole-5-carboxylic acid
CID 78996490
(E)-3-(3-fluorophenyl)-N-pyridin-4-ylprop-2-enamide
CID 39471692
(E)-3-(3-fluorophenyl)-N-quinolin-8-ylprop-2-enamide
CID 26123578

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(3-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide (CID 115621065) is (E)-3-(3-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide is CCCc1cc(NC(=O)/C=C/c2cccc(F)c2)n[nH]1.
What is the InChIKey of (E)-3-(3-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide?
The InChIKey is NENXBFZJEQOKHN-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-2-4-13-10-14(19-18-13)17-15(20)8-7-11-5-3-6-12(16)9-11/h3,5-10H,2,4H2,1H3,(H2,17,18,19,20)/b8-7+.
What are the key properties of (E)-3-(3-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide?
(E)-3-(3-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-(3-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 115621065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).