5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole

C20H18N2OS — CID 2818668

IUPAC5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(c3ccccc3)C(c3cccs3)C2)cc1
InChIInChI=1S/C20H18N2OS/c1-23-17-11-9-15(10-12-17)18-14-19(20-8-5-13-24-20)22(21-18)16-6-3-2-4-7-16/h2-13,19H,14H2,1H3
InChIKeyVRKBBDGXDMUOAI-UHFFFAOYSA-N
MW334.44 g/mol
LogP5.11
Rot. Bonds4

About 5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole

5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 2818668) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID2818668
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(c3ccccc3)C(c3cccs3)C2)cc1
InChIInChI=1S/C20H18N2OS/c1-23-17-11-9-15(10-12-17)18-14-19(20-8-5-13-24-20)22(21-18)16-6-3-2-4-7-16/h2-13,19H,14H2,1H3
InChIKeyVRKBBDGXDMUOAI-UHFFFAOYSA-N
XLogP5.11
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.44
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole
CID 619798
1-(2,4-Difluorophenyl)-4-(2-methoxyphenyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 581709
4-[5-(4-Methoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]benzenesulfonamide
CID 44143712
4-(5-(4-methoxyphenyl)thiophen-2-yl)-N,N-dimethylbenzenamine
CID 44408841
5-(4-Ethoxyphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 46888127
5-(4-Methoxyphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 46888128
4-[1-[4-(Trifluoromethyl)phenyl]-3-(2-thienyl)-4,5-dihydro-1H-pyrazole-5-yl]phenol
CID 91799364
3-(4-methoxyphenyl)-1,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 349866
4-(2-Methoxyphenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 2842530
4-[5-(4-methoxyphenyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]benzaldehyde
CID 2891826
1-(2-methoxyphenyl)-5-phenyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 11835237
5-(3-Methoxyphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 46888130

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of 5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole (CID 2818668) is 5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole is COc1ccc(C2=NN(c3ccccc3)C(c3cccs3)C2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is VRKBBDGXDMUOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-23-17-11-9-15(10-12-17)18-14-19(20-8-5-13-24-20)22(21-18)16-6-3-2-4-7-16/h2-13,19H,14H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole?
5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 334.44 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 2818668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).