ethyl 3-(1-methyl-5-pyridin-3-ylpyrazol-4-yl)prop-2-enoate

C14H15N3O2 — CID 91001868

IUPACethyl 3-(1-methyl-5-pyridin-3-ylpyrazol-4-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1cnn(C)c1-c1cccnc1
InChIInChI=1S/C14H15N3O2/c1-3-19-13(18)7-6-12-10-16-17(2)14(12)11-5-4-8-15-9-11/h4-10H,3H2,1-2H3
InChIKeyAKDMXVUJSKNJRI-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.06
Rot. Bonds4

About ethyl 3-(1-methyl-5-pyridin-3-ylpyrazol-4-yl)prop-2-enoate

ethyl 3-(1-methyl-5-pyridin-3-ylpyrazol-4-yl)prop-2-enoate (PubChem CID 91001868) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is ethyl 3-(1-methyl-5-pyridin-3-ylpyrazol-4-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(1-methyl-5-pyridin-3-ylpyrazol-4-yl)prop-2-enoate
PubChem CID91001868
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Nameethyl 3-(1-methyl-5-pyridin-3-ylpyrazol-4-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1cnn(C)c1-c1cccnc1
InChIInChI=1S/C14H15N3O2/c1-3-19-13(18)7-6-12-10-16-17(2)14(12)11-5-4-8-15-9-11/h4-10H,3H2,1-2H3
InChIKeyAKDMXVUJSKNJRI-UHFFFAOYSA-N
XLogP2.06
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-(5-pyridin-3-yl-1H-pyrrol-2-yl)prop-2-enoate
CID 177345396
ethyl (E)-3-(5-nitro-2-pyridin-3-ylphenyl)prop-2-enoate
CID 101198213
ethyl (E)-3-(2-methylpyrazol-3-yl)prop-2-enoate
CID 77230263
ethyl (E)-3-(4-pyridin-3-yloxyphenyl)prop-2-enoate
CID 86741940
ethyl (E)-3-pyrazolo[1,5-a]pyridin-3-ylprop-2-enoate
CID 165477367
ethyl (E)-3-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-pyridinyl]prop-2-enoate
CID 102051602
ethyl (E)-3-[5-butoxy-2-(3-formyl-4-pyridin-3-ylphenyl)phenyl]prop-2-enoate
CID 88943025
ethyl (E)-3-(pyridine-3-carbonylamino)prop-2-enoate
CID 102078444
ethyl (E)-3-(7-chloroisoquinolin-5-yl)prop-2-enoate
CID 82579891
ethyl 3-pyridin-3-ylbut-2-enoate
CID 54400359
ethyl 3-[3-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-5-pyridin-3-yloxyphenyl]prop-2-enoate
CID 70342150
ethyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
CID 6441630

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-methyl-5-pyridin-3-ylpyrazol-4-yl)prop-2-enoate?
The IUPAC name of ethyl 3-(1-methyl-5-pyridin-3-ylpyrazol-4-yl)prop-2-enoate (CID 91001868) is ethyl 3-(1-methyl-5-pyridin-3-ylpyrazol-4-yl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(1-methyl-5-pyridin-3-ylpyrazol-4-yl)prop-2-enoate?
The canonical SMILES for ethyl 3-(1-methyl-5-pyridin-3-ylpyrazol-4-yl)prop-2-enoate is CCOC(=O)C=Cc1cnn(C)c1-c1cccnc1.
What is the InChIKey of ethyl 3-(1-methyl-5-pyridin-3-ylpyrazol-4-yl)prop-2-enoate?
The InChIKey is AKDMXVUJSKNJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-3-19-13(18)7-6-12-10-16-17(2)14(12)11-5-4-8-15-9-11/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 3-(1-methyl-5-pyridin-3-ylpyrazol-4-yl)prop-2-enoate?
ethyl 3-(1-methyl-5-pyridin-3-ylpyrazol-4-yl)prop-2-enoate has a molecular weight of 257.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-methyl-5-pyridin-3-ylpyrazol-4-yl)prop-2-enoate is sourced from PubChem (CID 91001868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).