(E)-3-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)prop-2-enamide

C16H13N5O — CID 71789782

IUPAC(E)-3-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cnc(-n2cccn2)nc1
InChIInChI=1S/C16H13N5O/c22-15(8-7-13-5-2-1-3-6-13)20-14-11-17-16(18-12-14)21-10-4-9-19-21/h1-12H,(H,20,22)/b8-7+
InChIKeyVHLKYOOTYVEYHQ-BQYQJAHWSA-N
MW291.31 g/mol
LogP2.31
Rot. Bonds4

About (E)-3-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)prop-2-enamide

(E)-3-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)prop-2-enamide (PubChem CID 71789782) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is (E)-3-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)prop-2-enamide
PubChem CID71789782
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name(E)-3-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cnc(-n2cccn2)nc1
InChIInChI=1S/C16H13N5O/c22-15(8-7-13-5-2-1-3-6-13)20-14-11-17-16(18-12-14)21-10-4-9-19-21/h1-12H,(H,20,22)/b8-7+
InChIKeyVHLKYOOTYVEYHQ-BQYQJAHWSA-N
XLogP2.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
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)-N-(2-pyrazol-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide
CID 122300255
(E)-3-(1-phenylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 55560332
(E)-3-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]prop-2-enamide
CID 122309615
3-phenyl-N-quinolin-3-ylprop-2-enamide
CID 4000416
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
2-(3-methylphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 122300273
N-(2-pyrazol-1-ylpyrimidin-5-yl)butanamide
CID 91967761
(E)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-phenylprop-2-enamide
CID 28903711
(E)-3-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 30885025
(Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
CID 92904671
2-(2-methoxyphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 122300315
(E)-3-(4-acetamidophenyl)-N-(2-phenylpyrimidin-5-yl)prop-2-enamide
CID 134056288

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)prop-2-enamide (CID 71789782) is (E)-3-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)prop-2-enamide is O=C(/C=C/c1ccccc1)Nc1cnc(-n2cccn2)nc1.
What is the InChIKey of (E)-3-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)prop-2-enamide?
The InChIKey is VHLKYOOTYVEYHQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H13N5O/c22-15(8-7-13-5-2-1-3-6-13)20-14-11-17-16(18-12-14)21-10-4-9-19-21/h1-12H,(H,20,22)/b8-7+.
What are the key properties of (E)-3-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)prop-2-enamide?
(E)-3-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)prop-2-enamide has a molecular weight of 291.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)prop-2-enamide is sourced from PubChem (CID 71789782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).