(3-methoxyphenyl)-[(3R)-5-(4-methylphenyl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]methanone

C22H20N2O2S — CID 2141954

IUPAC(3-methoxyphenyl)-[(3R)-5-(4-methylphenyl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]methanone
SMILESCOc1cccc(C(=O)N2NC(c3ccc(C)cc3)=C[C@@H]2c2cccs2)c1
InChIInChI=1S/C22H20N2O2S/c1-15-8-10-16(11-9-15)19-14-20(21-7-4-12-27-21)24(23-19)22(25)17-5-3-6-18(13-17)26-2/h3-14,20,23H,1-2H3/t20-/m1/s1
InChIKeyYKNSRVGYXJMKEQ-HXUWFJFHSA-N
MW376.48 g/mol
LogP4.81
Rot. Bonds4

About (3-methoxyphenyl)-[(3R)-5-(4-methylphenyl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]methanone

(3-methoxyphenyl)-[(3R)-5-(4-methylphenyl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]methanone (PubChem CID 2141954) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is (3-methoxyphenyl)-[(3R)-5-(4-methylphenyl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[(3R)-5-(4-methylphenyl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]methanone
PubChem CID2141954
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC Name(3-methoxyphenyl)-[(3R)-5-(4-methylphenyl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]methanone
SMILESCOc1cccc(C(=O)N2NC(c3ccc(C)cc3)=C[C@@H]2c2cccs2)c1
InChIInChI=1S/C22H20N2O2S/c1-15-8-10-16(11-9-15)19-14-20(21-7-4-12-27-21)24(23-19)22(25)17-5-3-6-18(13-17)26-2/h3-14,20,23H,1-2H3/t20-/m1/s1
InChIKeyYKNSRVGYXJMKEQ-HXUWFJFHSA-N
XLogP4.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2-methyl-6-(4-methylphenyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
CID 90656524
6-(4-methylphenyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxamide
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(2,6-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
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(4Z)-1-(4-fluorophenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione
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Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[(3R)-5-(4-methylphenyl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[(3R)-5-(4-methylphenyl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]methanone (CID 2141954) is (3-methoxyphenyl)-[(3R)-5-(4-methylphenyl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[(3R)-5-(4-methylphenyl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[(3R)-5-(4-methylphenyl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]methanone is COc1cccc(C(=O)N2NC(c3ccc(C)cc3)=C[C@@H]2c2cccs2)c1.
What is the InChIKey of (3-methoxyphenyl)-[(3R)-5-(4-methylphenyl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]methanone?
The InChIKey is YKNSRVGYXJMKEQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-15-8-10-16(11-9-15)19-14-20(21-7-4-12-27-21)24(23-19)22(25)17-5-3-6-18(13-17)26-2/h3-14,20,23H,1-2H3/t20-/m1/s1.
What are the key properties of (3-methoxyphenyl)-[(3R)-5-(4-methylphenyl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]methanone?
(3-methoxyphenyl)-[(3R)-5-(4-methylphenyl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]methanone has a molecular weight of 376.48 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[(3R)-5-(4-methylphenyl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 2141954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).