1-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone

C26H24N6O2S — CID 25339964

IUPAC1-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone
SMILESCOc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSc2nnnn2-c2cccc(C)c2)cc1
InChIInChI=1S/C26H24N6O2S/c1-18-7-6-10-21(15-18)31-26(27-29-30-31)35-17-25(33)32-24(20-11-13-22(34-2)14-12-20)16-23(28-32)19-8-4-3-5-9-19/h3-15,24H,16-17H2,1-2H3/t24-/m0/s1
InChIKeyFSYUEHNWFFDCLM-DEOSSOPVSA-N
MW484.59 g/mol
LogP4.45
Rot. Bonds7

About 1-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone

1-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone (PubChem CID 25339964) has the molecular formula C26H24N6O2S and a molecular weight of 484.59 g/mol. Its IUPAC name is 1-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone.

Molecular Properties

Compound Name1-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone
PubChem CID25339964
Molecular FormulaC26H24N6O2S
Molecular Weight484.59 g/mol
Exact Mass484.17
IUPAC Name1-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone
SMILESCOc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSc2nnnn2-c2cccc(C)c2)cc1
InChIInChI=1S/C26H24N6O2S/c1-18-7-6-10-21(15-18)31-26(27-29-30-31)35-17-25(33)32-24(20-11-13-22(34-2)14-12-20)16-23(28-32)19-8-4-3-5-9-19/h3-15,24H,16-17H2,1-2H3/t24-/m0/s1
InChIKeyFSYUEHNWFFDCLM-DEOSSOPVSA-N
XLogP4.45
TPSA85.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.59
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 4884205
1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 16518809
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 41179801
1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-pyrimidin-2-ylsulfanylethanone
CID 7689315
2-imidazo[1,5-a]pyridin-3-ylsulfanyl-1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 42985660
N-[[5-[2-[(3R)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
CID 99660837
1-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-pyridin-2-ylsulfanylethanone
CID 40550554
N-[[5-[2-[(3S)-5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
CID 98177126
2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 40791910
4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 1118091
N-[[5-[2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
CID 3474898
1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 40847360

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone?
The IUPAC name of 1-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone (CID 25339964) is 1-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone.
What is the SMILES notation for 1-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone?
The canonical SMILES for 1-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone is COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSc2nnnn2-c2cccc(C)c2)cc1.
What is the InChIKey of 1-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone?
The InChIKey is FSYUEHNWFFDCLM-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H24N6O2S/c1-18-7-6-10-21(15-18)31-26(27-29-30-31)35-17-25(33)32-24(20-11-13-22(34-2)14-12-20)16-23(28-32)19-8-4-3-5-9-19/h3-15,24H,16-17H2,1-2H3/t24-/m0/s1.
What are the key properties of 1-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone?
1-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone has a molecular weight of 484.59 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone is sourced from PubChem (CID 25339964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).