(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide

C25H19N7O — CID 46554236

IUPAC(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
SMILESO=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C25H19N7O/c33-24(29-21-10-11-23(27-17-21)31-15-5-14-28-31)12-9-20-18-32(22-7-2-1-3-8-22)30-25(20)19-6-4-13-26-16-19/h1-18H,(H,29,33)/b12-9+
InChIKeyRYIZQPCFLDZCJM-FMIVXFBMSA-N
MW433.48 g/mol
LogP4.17
Rot. Bonds6

About (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide

(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide (PubChem CID 46554236) has the molecular formula C25H19N7O and a molecular weight of 433.48 g/mol. Its IUPAC name is (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
PubChem CID46554236
Molecular FormulaC25H19N7O
Molecular Weight433.48 g/mol
Exact Mass433.17
IUPAC Name(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
SMILESO=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C25H19N7O/c33-24(29-21-10-11-23(27-17-21)31-15-5-14-28-31)12-9-20-18-32(22-7-2-1-3-8-22)30-25(20)19-6-4-13-26-16-19/h1-18H,(H,29,33)/b12-9+
InChIKeyRYIZQPCFLDZCJM-FMIVXFBMSA-N
XLogP4.17
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-pyridin-3-ylprop-2-enamide
CID 26592504
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(E)-3-(1-phenylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
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CID 9479636
(E)-N-(benzimidazol-1-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 34326933
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 75671414
N-(3-amino-3-oxopropyl)-2-[[(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]benzamide
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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide (CID 46554236) is (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide is O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)Nc1ccc(-n2cccn2)nc1.
What is the InChIKey of (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide?
The InChIKey is RYIZQPCFLDZCJM-FMIVXFBMSA-N. The full InChI is InChI=1S/C25H19N7O/c33-24(29-21-10-11-23(27-17-21)31-15-5-14-28-31)12-9-20-18-32(22-7-2-1-3-8-22)30-25(20)19-6-4-13-26-16-19/h1-18H,(H,29,33)/b12-9+.
What are the key properties of (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide?
(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide has a molecular weight of 433.48 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 46554236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).