2-[2-phenyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine

C27H21N7 — CID 156612757

IUPAC2-[2-phenyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine
SMILESc1ccc(N2N=C(c3cnccn3)CC2c2cn(-c3ccccc3)nc2-c2ccncc2)cc1
InChIInChI=1S/C27H21N7/c1-3-7-21(8-4-1)33-19-23(27(32-33)20-11-13-28-14-12-20)26-17-24(25-18-29-15-16-30-25)31-34(26)22-9-5-2-6-10-22/h1-16,18-19,26H,17H2
InChIKeyDQXIWGYVTWNGAB-UHFFFAOYSA-N
MW443.51 g/mol
LogP5.08
Rot. Bonds5

About 2-[2-phenyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine

2-[2-phenyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine (PubChem CID 156612757) has the molecular formula C27H21N7 and a molecular weight of 443.51 g/mol. Its IUPAC name is 2-[2-phenyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine.

Molecular Properties

Compound Name2-[2-phenyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine
PubChem CID156612757
Molecular FormulaC27H21N7
Molecular Weight443.51 g/mol
Exact Mass443.19
IUPAC Name2-[2-phenyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine
SMILESc1ccc(N2N=C(c3cnccn3)CC2c2cn(-c3ccccc3)nc2-c2ccncc2)cc1
InChIInChI=1S/C27H21N7/c1-3-7-21(8-4-1)33-19-23(27(32-33)20-11-13-28-14-12-20)26-17-24(25-18-29-15-16-30-25)31-34(26)22-9-5-2-6-10-22/h1-16,18-19,26H,17H2
InChIKeyDQXIWGYVTWNGAB-UHFFFAOYSA-N
XLogP5.08
TPSA72.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.51
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-phenyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine?
The IUPAC name of 2-[2-phenyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine (CID 156612757) is 2-[2-phenyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine.
What is the SMILES notation for 2-[2-phenyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine?
The canonical SMILES for 2-[2-phenyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine is c1ccc(N2N=C(c3cnccn3)CC2c2cn(-c3ccccc3)nc2-c2ccncc2)cc1.
What is the InChIKey of 2-[2-phenyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine?
The InChIKey is DQXIWGYVTWNGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N7/c1-3-7-21(8-4-1)33-19-23(27(32-33)20-11-13-28-14-12-20)26-17-24(25-18-29-15-16-30-25)31-34(26)22-9-5-2-6-10-22/h1-16,18-19,26H,17H2.
What are the key properties of 2-[2-phenyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine?
2-[2-phenyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine has a molecular weight of 443.51 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-phenyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine is sourced from PubChem (CID 156612757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).