(E)-N-(2-pyrazol-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide

C14H11N5OS — CID 122300255

IUPAC(E)-N-(2-pyrazol-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1cnc(-n2cccn2)nc1
InChIInChI=1S/C14H11N5OS/c20-13(5-4-12-3-1-8-21-12)18-11-9-15-14(16-10-11)19-7-2-6-17-19/h1-10H,(H,18,20)/b5-4+
InChIKeyOXTKQEKBCOXSDI-SNAWJCMRSA-N
MW297.34 g/mol
LogP2.38
Rot. Bonds4

About (E)-N-(2-pyrazol-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(2-pyrazol-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 122300255) has the molecular formula C14H11N5OS and a molecular weight of 297.34 g/mol. Its IUPAC name is (E)-N-(2-pyrazol-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-pyrazol-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide
PubChem CID122300255
Molecular FormulaC14H11N5OS
Molecular Weight297.34 g/mol
Exact Mass297.07
IUPAC Name(E)-N-(2-pyrazol-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1cnc(-n2cccn2)nc1
InChIInChI=1S/C14H11N5OS/c20-13(5-4-12-3-1-8-21-12)18-11-9-15-14(16-10-11)19-7-2-6-17-19/h1-10H,(H,18,20)/b5-4+
InChIKeyOXTKQEKBCOXSDI-SNAWJCMRSA-N
XLogP2.38
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)prop-2-enamide
CID 71789782
(E)-N-pyridin-3-yl-3-thiophen-2-ylprop-2-enamide
CID 879707
(E)-N-quinolin-3-yl-3-thiophen-2-ylprop-2-enamide
CID 18146464
(E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 28739526
N-(1H-pyrazol-5-yl)-3-thiophen-2-ylprop-2-enamide
CID 61393043
(E)-N-quinoxalin-2-yl-3-thiophen-2-ylprop-2-enamide
CID 25061370
(E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 2165477
N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922899
N-(2-pyrazol-1-ylpyrimidin-5-yl)pyridine-2-carboxamide
CID 71789796
(E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-thiophen-2-ylprop-2-enamide
CID 18151319
(E)-N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 2389446
N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide
CID 3594199

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-pyrazol-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-pyrazol-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide (CID 122300255) is (E)-N-(2-pyrazol-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-pyrazol-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-pyrazol-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)Nc1cnc(-n2cccn2)nc1.
What is the InChIKey of (E)-N-(2-pyrazol-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is OXTKQEKBCOXSDI-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H11N5OS/c20-13(5-4-12-3-1-8-21-12)18-11-9-15-14(16-10-11)19-7-2-6-17-19/h1-10H,(H,18,20)/b5-4+.
What are the key properties of (E)-N-(2-pyrazol-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(2-pyrazol-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 297.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-pyrazol-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 122300255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).