(Z)-1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1,2,4-triazol-4-yl)methanimine

C24H20N6 — CID 7317499

IUPAC(Z)-1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N\n1cnnc1)\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C24H20N6/c1-3-7-20(8-4-1)23-15-24(21-9-5-2-6-10-21)30(28-23)22-13-11-19(12-14-22)16-27-29-17-25-26-18-29/h1-14,16-18,24H,15H2/b27-16-/t24-/m1/s1
InChIKeyDOVCRAKYSCWOOS-YMCFUUGVSA-N
MW392.47 g/mol
LogP4.52
Rot. Bonds5

About (Z)-1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1,2,4-triazol-4-yl)methanimine

(Z)-1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 7317499) has the molecular formula C24H20N6 and a molecular weight of 392.47 g/mol. Its IUPAC name is (Z)-1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID7317499
Molecular FormulaC24H20N6
Molecular Weight392.47 g/mol
Exact Mass392.17
IUPAC Name(Z)-1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N\n1cnnc1)\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C24H20N6/c1-3-7-20(8-4-1)23-15-24(21-9-5-2-6-10-21)30(28-23)22-13-11-19(12-14-22)16-27-29-17-25-26-18-29/h1-14,16-18,24H,15H2/b27-16-/t24-/m1/s1
InChIKeyDOVCRAKYSCWOOS-YMCFUUGVSA-N
XLogP4.52
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-[4-[(3R)-3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 98049208
(Z)-1-[4-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine
CID 7742090
(E)-1-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-pyridin-2-ylmethanimine
CID 11835018
1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine
CID 40877279
1-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-octylmethanimine
CID 3249432
4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
CID 3756212
(3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole
CID 7071800
(Z)-1-(4-phenylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 5425371
2-[2-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841357
4-chloro-2-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]phenol
CID 5010578
N-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]-2-hydroxybenzamide
CID 4315527
1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1-methylbenzimidazol-2-yl)methanimine
CID 40884173

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (Z)-1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1,2,4-triazol-4-yl)methanimine (CID 7317499) is (Z)-1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (Z)-1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (Z)-1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1,2,4-triazol-4-yl)methanimine is C(=N\n1cnnc1)\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (Z)-1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is DOVCRAKYSCWOOS-YMCFUUGVSA-N. The full InChI is InChI=1S/C24H20N6/c1-3-7-20(8-4-1)23-15-24(21-9-5-2-6-10-21)30(28-23)22-13-11-19(12-14-22)16-27-29-17-25-26-18-29/h1-14,16-18,24H,15H2/b27-16-/t24-/m1/s1.
What are the key properties of (Z)-1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
(Z)-1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 392.47 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 7317499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).