5-[4-(methylsulfanylmethyl)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole

C15H16N2S2 — CID 18175574

IUPAC5-[4-(methylsulfanylmethyl)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole
SMILESCSCc1ccc(C2CC(c3cccs3)=NN2)cc1
InChIInChI=1S/C15H16N2S2/c1-18-10-11-4-6-12(7-5-11)13-9-14(17-16-13)15-3-2-8-19-15/h2-8,13,16H,9-10H2,1H3
InChIKeyYSWNNBGXLAQTPJ-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.05
Rot. Bonds4

About 5-[4-(methylsulfanylmethyl)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole

5-[4-(methylsulfanylmethyl)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole (PubChem CID 18175574) has the molecular formula C15H16N2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 5-[4-(methylsulfanylmethyl)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-[4-(methylsulfanylmethyl)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole
PubChem CID18175574
Molecular FormulaC15H16N2S2
Molecular Weight288.44 g/mol
Exact Mass288.08
IUPAC Name5-[4-(methylsulfanylmethyl)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole
SMILESCSCc1ccc(C2CC(c3cccs3)=NN2)cc1
InChIInChI=1S/C15H16N2S2/c1-18-10-11-4-6-12(7-5-11)13-9-14(17-16-13)15-3-2-8-19-15/h2-8,13,16H,9-10H2,1H3
InChIKeyYSWNNBGXLAQTPJ-UHFFFAOYSA-N
XLogP4.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Thiophen-2-YL)-5-P-tolyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
CID 11543974
2-Methylsulfonyl-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 2953042
3-(4-ethylphenyl)-1-(methylsulfonyl)-5-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 2953135
1-(methylsulfonyl)-3-phenyl-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole
CID 4299203
5-(4-Methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 4311525
3-(2-Methylphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 2963399
1H-Pyrazole, 3-(4-chlorophenyl)-4,5-dihydro-5-(thienyl)-
CID 4739511
N-allyl-5-(thiophen-2-yl)-3-p-tolyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
CID 11013275
5-(thiophen-2-yl)-3-p-tolyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
CID 45113790
3-Naphthalen-1-yl-5-thiophen-2-yl-4,5-dihydro-1h-pyrazole
CID 129886201
2-[5-(4-Methylphenyl)-1,3,4-thiadiazolin-2-yl]thiophene
CID 3741849
5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
CID 92454583

Frequently Asked Questions

What is the IUPAC name of 5-[4-(methylsulfanylmethyl)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
The IUPAC name of 5-[4-(methylsulfanylmethyl)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole (CID 18175574) is 5-[4-(methylsulfanylmethyl)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 5-[4-(methylsulfanylmethyl)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 5-[4-(methylsulfanylmethyl)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole is CSCc1ccc(C2CC(c3cccs3)=NN2)cc1.
What is the InChIKey of 5-[4-(methylsulfanylmethyl)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
The InChIKey is YSWNNBGXLAQTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S2/c1-18-10-11-4-6-12(7-5-11)13-9-14(17-16-13)15-3-2-8-19-15/h2-8,13,16H,9-10H2,1H3.
What are the key properties of 5-[4-(methylsulfanylmethyl)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
5-[4-(methylsulfanylmethyl)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole has a molecular weight of 288.44 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methylsulfanylmethyl)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 18175574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).