(4-methoxyphenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone

C19H14N2O2S2 — CID 2739870

IUPAC(4-methoxyphenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone
SMILESCOc1ccc(C(=O)n2nccc2-c2ccc(-c3cccs3)s2)cc1
InChIInChI=1S/C19H14N2O2S2/c1-23-14-6-4-13(5-7-14)19(22)21-15(10-11-20-21)16-8-9-18(25-16)17-3-2-12-24-17/h2-12H,1H3
InChIKeyCNUUGOYQBZCJTA-UHFFFAOYSA-N
MW366.47 g/mol
LogP5.04
Rot. Bonds4

About (4-methoxyphenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone

(4-methoxyphenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone (PubChem CID 2739870) has the molecular formula C19H14N2O2S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is (4-methoxyphenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone
PubChem CID2739870
Molecular FormulaC19H14N2O2S2
Molecular Weight366.47 g/mol
Exact Mass366.05
IUPAC Name(4-methoxyphenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone
SMILESCOc1ccc(C(=O)n2nccc2-c2ccc(-c3cccs3)s2)cc1
InChIInChI=1S/C19H14N2O2S2/c1-23-14-6-4-13(5-7-14)19(22)21-15(10-11-20-21)16-8-9-18(25-16)17-3-2-12-24-17/h2-12H,1H3
InChIKeyCNUUGOYQBZCJTA-UHFFFAOYSA-N
XLogP5.04
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxyphenyl)-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
CID 16660422
2-[3-(4-methoxyphenyl)-5-(5-thiophen-2-ylthiophen-2-yl)phenyl]-5-thiophen-2-ylthiophene
CID 25194683
(4-methoxyphenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate
CID 17011461
[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone
CID 122331421
(5-amino-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone
CID 118796828
(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 717242
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
4-methoxy-1-(5-thiophen-2-ylthiophen-2-yl)pyridin-1-ium
CID 10872437
4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911601
(4-fluorophenyl)-[3-(4-methoxyphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone
CID 2971989
(4-chlorophenyl)-[3-(4-methoxyphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone
CID 3938972
1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one
CID 63774976

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone (CID 2739870) is (4-methoxyphenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone is COc1ccc(C(=O)n2nccc2-c2ccc(-c3cccs3)s2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone?
The InChIKey is CNUUGOYQBZCJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S2/c1-23-14-6-4-13(5-7-14)19(22)21-15(10-11-20-21)16-8-9-18(25-16)17-3-2-12-24-17/h2-12H,1H3.
What are the key properties of (4-methoxyphenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone?
(4-methoxyphenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone has a molecular weight of 366.47 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone is sourced from PubChem (CID 2739870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).