1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one

C17H18N2O2S — CID 2958983

IUPAC1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCCC(=O)N1N=C(c2cccs2)CC1c1ccc(OC)cc1
InChIInChI=1S/C17H18N2O2S/c1-3-17(20)19-15(12-6-8-13(21-2)9-7-12)11-14(18-19)16-5-4-10-22-16/h4-10,15H,3,11H2,1-2H3
InChIKeyRVFBQYBISBVBCS-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.84
Rot. Bonds4

About 1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one

1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one (PubChem CID 2958983) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one
PubChem CID2958983
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCCC(=O)N1N=C(c2cccs2)CC1c1ccc(OC)cc1
InChIInChI=1S/C17H18N2O2S/c1-3-17(20)19-15(12-6-8-13(21-2)9-7-12)11-14(18-19)16-5-4-10-22-16/h4-10,15H,3,11H2,1-2H3
InChIKeyRVFBQYBISBVBCS-UHFFFAOYSA-N
XLogP3.84
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3-Methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 3826900
1-(3-(3,4-dimethoxyphenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one
CID 2952694
2-chloro-1-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
CID 3811656
1-[4-(4-Methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-yl]ethan-1-one
CID 2739545
5-(4-methoxyphenyl)-N-methyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
CID 3143569
3-(4-methoxyphenyl)-1-(methylsulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole
CID 3153491
5-(4-methoxyphenyl)-1-(methylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole
CID 5170190
[5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone
CID 11451524
1-[(3R,3aR)-8-methoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-thiochromeno[4,3-c]pyrazol-2-yl]ethanone
CID 16203329
7-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-propan-2-ylthieno[2,3-d]pyridazin-4-one
CID 56662000
7-[4-[3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-5-propan-2-ylthieno[2,3-d]pyridazin-4-one
CID 56668921
7-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-propylthieno[2,3-d]pyridazin-4-one
CID 56668922

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one?
The IUPAC name of 1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one (CID 2958983) is 1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one?
The canonical SMILES for 1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one is CCC(=O)N1N=C(c2cccs2)CC1c1ccc(OC)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one?
The InChIKey is RVFBQYBISBVBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-3-17(20)19-15(12-6-8-13(21-2)9-7-12)11-14(18-19)16-5-4-10-22-16/h4-10,15H,3,11H2,1-2H3.
What are the key properties of 1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one?
1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one has a molecular weight of 314.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one is sourced from PubChem (CID 2958983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).