(E)-3-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]prop-2-enamide

C22H17N5O2 — CID 122309615

IUPAC(E)-3-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(Oc2cc(-n3cccn3)ncn2)cc1
InChIInChI=1S/C22H17N5O2/c28-21(12-7-17-5-2-1-3-6-17)26-18-8-10-19(11-9-18)29-22-15-20(23-16-24-22)27-14-4-13-25-27/h1-16H,(H,26,28)/b12-7+
InChIKeyNCMZWWBZCYUYHT-KPKJPENVSA-N
MW383.41 g/mol
LogP4.11
Rot. Bonds6

About (E)-3-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]prop-2-enamide

(E)-3-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]prop-2-enamide (PubChem CID 122309615) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is (E)-3-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]prop-2-enamide
PubChem CID122309615
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC Name(E)-3-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(Oc2cc(-n3cccn3)ncn2)cc1
InChIInChI=1S/C22H17N5O2/c28-21(12-7-17-5-2-1-3-6-17)26-18-8-10-19(11-9-18)29-22-15-20(23-16-24-22)27-14-4-13-25-27/h1-16H,(H,26,28)/b12-7+
InChIKeyNCMZWWBZCYUYHT-KPKJPENVSA-N
XLogP4.11
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.11
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

1-phenyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309674
(E)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-phenylprop-2-enamide
CID 122312260
4-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide
CID 122309612
1-(2-chlorophenyl)-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309662
(E)-3-(4-chlorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]prop-2-enamide
CID 122312112
4-iodo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309931
1-(3-chloro-4-methylphenyl)-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309646
1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea
CID 122309727
5-bromo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]pyridine-3-carboxamide
CID 122309753
(E)-3-phenyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)prop-2-enamide
CID 71789782
2-chloro-6-fluoro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309602
3-fluoro-4-methyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309820

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]prop-2-enamide (CID 122309615) is (E)-3-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]prop-2-enamide is O=C(/C=C/c1ccccc1)Nc1ccc(Oc2cc(-n3cccn3)ncn2)cc1.
What is the InChIKey of (E)-3-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]prop-2-enamide?
The InChIKey is NCMZWWBZCYUYHT-KPKJPENVSA-N. The full InChI is InChI=1S/C22H17N5O2/c28-21(12-7-17-5-2-1-3-6-17)26-18-8-10-19(11-9-18)29-22-15-20(23-16-24-22)27-14-4-13-25-27/h1-16H,(H,26,28)/b12-7+.
What are the key properties of (E)-3-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]prop-2-enamide?
(E)-3-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]prop-2-enamide has a molecular weight of 383.41 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]prop-2-enamide is sourced from PubChem (CID 122309615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).