(3R,4R)-4-imidazol-1-yl-3,5-bis(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole

C26H24N4 — CID 44577127

IUPAC(3R,4R)-4-imidazol-1-yl-3,5-bis(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(C)cc3)[C@H]2n2ccnc2)cc1
InChIInChI=1S/C26H24N4/c1-19-8-12-21(13-9-19)24-26(29-17-16-27-18-29)25(22-14-10-20(2)11-15-22)30(28-24)23-6-4-3-5-7-23/h3-18,25-26H,1-2H3/t25-,26+/m1/s1
InChIKeyQAPKDPCJVFNGBS-FTJBHMTQSA-N
MW392.51 g/mol
LogP5.71
Rot. Bonds4

About (3R,4R)-4-imidazol-1-yl-3,5-bis(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole

(3R,4R)-4-imidazol-1-yl-3,5-bis(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 44577127) has the molecular formula C26H24N4 and a molecular weight of 392.51 g/mol. Its IUPAC name is (3R,4R)-4-imidazol-1-yl-3,5-bis(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3R,4R)-4-imidazol-1-yl-3,5-bis(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
PubChem CID44577127
Molecular FormulaC26H24N4
Molecular Weight392.51 g/mol
Exact Mass392.20
IUPAC Name(3R,4R)-4-imidazol-1-yl-3,5-bis(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(C)cc3)[C@H]2n2ccnc2)cc1
InChIInChI=1S/C26H24N4/c1-19-8-12-21(13-9-19)24-26(29-17-16-27-18-29)25(22-14-10-20(2)11-15-22)30(28-24)23-6-4-3-5-7-23/h3-18,25-26H,1-2H3/t25-,26+/m1/s1
InChIKeyQAPKDPCJVFNGBS-FTJBHMTQSA-N
XLogP5.71
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.51
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-imidazol-1-yl-3,5-bis(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of (3R,4R)-4-imidazol-1-yl-3,5-bis(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole (CID 44577127) is (3R,4R)-4-imidazol-1-yl-3,5-bis(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for (3R,4R)-4-imidazol-1-yl-3,5-bis(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for (3R,4R)-4-imidazol-1-yl-3,5-bis(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole is Cc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(C)cc3)[C@H]2n2ccnc2)cc1.
What is the InChIKey of (3R,4R)-4-imidazol-1-yl-3,5-bis(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is QAPKDPCJVFNGBS-FTJBHMTQSA-N. The full InChI is InChI=1S/C26H24N4/c1-19-8-12-21(13-9-19)24-26(29-17-16-27-18-29)25(22-14-10-20(2)11-15-22)30(28-24)23-6-4-3-5-7-23/h3-18,25-26H,1-2H3/t25-,26+/m1/s1.
What are the key properties of (3R,4R)-4-imidazol-1-yl-3,5-bis(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole?
(3R,4R)-4-imidazol-1-yl-3,5-bis(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 392.51 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-imidazol-1-yl-3,5-bis(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 44577127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).