2-[5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-4,5-dihydro-1,3-thiazole

C29H25N3S — CID 90656354

IUPAC2-[5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-4,5-dihydro-1,3-thiazole
SMILESCc1ccc(C2=NN(C3=NC(c4ccccc4)CS3)C(c3ccc4ccccc4c3)C2)cc1
InChIInChI=1S/C29H25N3S/c1-20-11-13-23(14-12-20)26-18-28(25-16-15-21-7-5-6-10-24(21)17-25)32(31-26)29-30-27(19-33-29)22-8-3-2-4-9-22/h2-17,27-28H,18-19H2,1H3
InChIKeyZSUVRXBWUAJQQJ-UHFFFAOYSA-N
MW447.61 g/mol
LogP7.14
Rot. Bonds3

About 2-[5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-4,5-dihydro-1,3-thiazole

2-[5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-4,5-dihydro-1,3-thiazole (PubChem CID 90656354) has the molecular formula C29H25N3S and a molecular weight of 447.61 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-4,5-dihydro-1,3-thiazole
PubChem CID90656354
Molecular FormulaC29H25N3S
Molecular Weight447.61 g/mol
Exact Mass447.18
IUPAC Name2-[5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-4,5-dihydro-1,3-thiazole
SMILESCc1ccc(C2=NN(C3=NC(c4ccccc4)CS3)C(c3ccc4ccccc4c3)C2)cc1
InChIInChI=1S/C29H25N3S/c1-20-11-13-23(14-12-20)26-18-28(25-16-15-21-7-5-6-10-24(21)17-25)32(31-26)29-30-27(19-33-29)22-8-3-2-4-9-22/h2-17,27-28H,18-19H2,1H3
InChIKeyZSUVRXBWUAJQQJ-UHFFFAOYSA-N
XLogP7.14
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.61
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
CID 71525008
3-(4-fluorophenyl)-2-(4-methylphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazole
CID 134613023
5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazole-2-carbothioamide
CID 71524965
5-(4-methoxyphenyl)-3-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 11175276
(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390
6-methyl-2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-benzothiazole
CID 139217682
2-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole
CID 43835715
4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
CID 3756212
(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7380769
(5Z)-2-[3-(4-chlorophenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-5-[(2-methylphenyl)methylidene]-1,3-thiazol-4-one
CID 50740833
4-[3-(4-chlorophenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-one
CID 66488121
2-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
CID 41009659

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-4,5-dihydro-1,3-thiazole (CID 90656354) is 2-[5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-4,5-dihydro-1,3-thiazole is Cc1ccc(C2=NN(C3=NC(c4ccccc4)CS3)C(c3ccc4ccccc4c3)C2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-4,5-dihydro-1,3-thiazole?
The InChIKey is ZSUVRXBWUAJQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3S/c1-20-11-13-23(14-12-20)26-18-28(25-16-15-21-7-5-6-10-24(21)17-25)32(31-26)29-30-27(19-33-29)22-8-3-2-4-9-22/h2-17,27-28H,18-19H2,1H3.
What are the key properties of 2-[5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-4,5-dihydro-1,3-thiazole?
2-[5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-4,5-dihydro-1,3-thiazole has a molecular weight of 447.61 g/mol, XLogP of 7.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 90656354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).