(E)-3-(2-fluorophenyl)-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]prop-2-enamide

C18H16FN5O — CID 121019927

IUPAC(E)-3-(2-fluorophenyl)-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1F)NCCn1ccc(-c2cnccn2)n1
InChIInChI=1S/C18H16FN5O/c19-15-4-2-1-3-14(15)5-6-18(25)22-10-12-24-11-7-16(23-24)17-13-20-8-9-21-17/h1-9,11,13H,10,12H2,(H,22,25)/b6-5+
InChIKeyBICAXXCRCXKVCX-AATRIKPKSA-N
MW337.36 g/mol
LogP2.31
Rot. Bonds6

About (E)-3-(2-fluorophenyl)-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]prop-2-enamide

(E)-3-(2-fluorophenyl)-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]prop-2-enamide (PubChem CID 121019927) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is (E)-3-(2-fluorophenyl)-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-fluorophenyl)-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]prop-2-enamide
PubChem CID121019927
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC Name(E)-3-(2-fluorophenyl)-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1F)NCCn1ccc(-c2cnccn2)n1
InChIInChI=1S/C18H16FN5O/c19-15-4-2-1-3-14(15)5-6-18(25)22-10-12-24-11-7-16(23-24)17-13-20-8-9-21-17/h1-9,11,13H,10,12H2,(H,22,25)/b6-5+
InChIKeyBICAXXCRCXKVCX-AATRIKPKSA-N
XLogP2.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-methylphenyl)-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]prop-2-enamide
CID 119102701
(E)-3-(2-fluorophenyl)-N-(2-imidazol-1-ylethyl)prop-2-enamide
CID 90264827
N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
CID 121019897
(E)-3-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide
CID 90588038
1-(2-chlorophenyl)-3-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]urea
CID 119102710
2-ethoxy-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]acetamide
CID 119102670
N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 171136734
(E)-3-(2-chlorophenyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]prop-2-enamide
CID 117054867
2-phenyl-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]ethenesulfonamide
CID 171130620
N-[2-(azepan-1-yl)ethyl]-3-(2-fluorophenyl)prop-2-enamide
CID 123154586
(E)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 90588381
(E)-3-(2-fluorophenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]prop-2-enamide
CID 119102901

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-fluorophenyl)-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-fluorophenyl)-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]prop-2-enamide (CID 121019927) is (E)-3-(2-fluorophenyl)-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-fluorophenyl)-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-fluorophenyl)-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]prop-2-enamide is O=C(/C=C/c1ccccc1F)NCCn1ccc(-c2cnccn2)n1.
What is the InChIKey of (E)-3-(2-fluorophenyl)-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]prop-2-enamide?
The InChIKey is BICAXXCRCXKVCX-AATRIKPKSA-N. The full InChI is InChI=1S/C18H16FN5O/c19-15-4-2-1-3-14(15)5-6-18(25)22-10-12-24-11-7-16(23-24)17-13-20-8-9-21-17/h1-9,11,13H,10,12H2,(H,22,25)/b6-5+.
What are the key properties of (E)-3-(2-fluorophenyl)-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]prop-2-enamide?
(E)-3-(2-fluorophenyl)-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]prop-2-enamide has a molecular weight of 337.36 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-fluorophenyl)-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 121019927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).