1-[(E)-3-(1H-pyrazol-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one

C11H11N3O2 — CID 138634709

IUPAC1-[(E)-3-(1H-pyrazol-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one
SMILESO=C1C=CCCN1C(=O)/C=C/c1cn[nH]c1
InChIInChI=1S/C11H11N3O2/c15-10-3-1-2-6-14(10)11(16)5-4-9-7-12-13-8-9/h1,3-5,7-8H,2,6H2,(H,12,13)/b5-4+
InChIKeyFSYBCPNCZKABDZ-SNAWJCMRSA-N
MW217.23 g/mol
LogP0.74
Rot. Bonds2

About 1-[(E)-3-(1H-pyrazol-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one

1-[(E)-3-(1H-pyrazol-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one (PubChem CID 138634709) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 1-[(E)-3-(1H-pyrazol-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-[(E)-3-(1H-pyrazol-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one
PubChem CID138634709
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name1-[(E)-3-(1H-pyrazol-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one
SMILESO=C1C=CCCN1C(=O)/C=C/c1cn[nH]c1
InChIInChI=1S/C11H11N3O2/c15-10-3-1-2-6-14(10)11(16)5-4-9-7-12-13-8-9/h1,3-5,7-8H,2,6H2,(H,12,13)/b5-4+
InChIKeyFSYBCPNCZKABDZ-SNAWJCMRSA-N
XLogP0.74
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(Pyrazol-4-yl)-propenoyl isothiocyanate
CID 129746824
3-(1H-pyrazol-4-yl)prop-2-enamide
CID 90190696
4-(1H-pyrazol-4-yl)-1H-pyridin-2-one
CID 91493276
1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-one
CID 129212277
5-(1H-pyrazol-4-yl)-1H-pyridin-2-one
CID 129972237
1-(1H-pyrazol-4-ylmethyl)pyridin-2-one
CID 130569576
1-methyl-3-(1H-pyrazol-4-yl)pyridin-2-one
CID 131205532
3,3-dimethyl-1-[(E)-3-(5-methyl-1H-pyrazol-4-yl)prop-2-enoyl]-2H-pyridin-6-one
CID 138634703
1-[3-(1H-pyrazol-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one
CID 138634711
1-[(E)-3-(5-methyl-1H-pyrazol-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one
CID 138634729
1-[(E)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one
CID 138634770
ethane;2-[(E)-3-(1H-pyrazol-4-yl)prop-2-enyl]-4,5-dihydroisoindole-1,3-dione
CID 144549920

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(1H-pyrazol-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The IUPAC name of 1-[(E)-3-(1H-pyrazol-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one (CID 138634709) is 1-[(E)-3-(1H-pyrazol-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-[(E)-3-(1H-pyrazol-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-[(E)-3-(1H-pyrazol-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one is O=C1C=CCCN1C(=O)/C=C/c1cn[nH]c1.
What is the InChIKey of 1-[(E)-3-(1H-pyrazol-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The InChIKey is FSYBCPNCZKABDZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-10-3-1-2-6-14(10)11(16)5-4-9-7-12-13-8-9/h1,3-5,7-8H,2,6H2,(H,12,13)/b5-4+.
What are the key properties of 1-[(E)-3-(1H-pyrazol-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
1-[(E)-3-(1H-pyrazol-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one has a molecular weight of 217.23 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(1H-pyrazol-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 138634709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).