[3-(4-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone

C21H18N2O2S — CID 2871937

IUPAC[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
SMILESCOC1=CC=C(C=C1)C2CC(=NN2C(=O)C3=CC=CS3)C4=CC=CC=C4
InChIInChI=1S/C21H18N2O2S/c1-25-17-11-9-16(10-12-17)19-14-18(15-6-3-2-4-7-15)22-23(19)21(24)20-8-5-13-26-20/h2-13,19H,14H2,1H3
InChIKeyADTLBIFDNHMORY-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.30
Rot. Bonds4

About [3-(4-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone

[3-(4-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone (PubChem CID 2871937) has the molecular formula C21H18N2O2S and a molecular weight of 362.40 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-(4-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
PubChem CID2871937
Molecular FormulaC21H18N2O2S
Molecular Weight362.40 g/mol
Exact Mass362.11
IUPAC Name[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
SMILESCOC1=CC=C(C=C1)C2CC(=NN2C(=O)C3=CC=CS3)C4=CC=CC=C4
InChIInChI=1S/C21H18N2O2S/c1-25-17-11-9-16(10-12-17)19-14-18(15-6-3-2-4-7-15)22-23(19)21(24)20-8-5-13-26-20/h2-13,19H,14H2,1H3
InChIKeyADTLBIFDNHMORY-UHFFFAOYSA-N
XLogP4.30
TPSA70.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity524

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-(4-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone (CID 2871937) is [3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-(4-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-(4-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone is COC1=CC=C(C=C1)C2CC(=NN2C(=O)C3=CC=CS3)C4=CC=CC=C4.
What is the InChIKey of [3-(4-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
The InChIKey is ADTLBIFDNHMORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-25-17-11-9-16(10-12-17)19-14-18(15-6-3-2-4-7-15)22-23(19)21(24)20-8-5-13-26-20/h2-13,19H,14H2,1H3.
What are the key properties of [3-(4-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone?
[3-(4-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone has a molecular weight of 362.40 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 2871937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).